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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-07-09 16:18:38 UTC

Update Date

2021-09-14 15:46:25 UTC

HMDB ID

HMDB0061103

Secondary Accession Numbers

HMDB61103

Metabolite Identification

Common Name

lamotrigine-2-N-glucuronide

Description

lamotrigine-2-N-glucuronide is a metabolite of lamotrigine. Lamotrigine, marketed in the US and most of Europe as Lamictal by GlaxoSmithKline, is an anticonvulsant drug used in the treatment of epilepsy and bipolar disorder. It is also used as an adjunct in treating depression, though this is considered off-label usage. For epilepsy, it is used to treat focal seizures, primary and secondary tonic-clonic seizures, and seizures associated with Lennox-Gastaut syndrome. (Wikipedia)

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

164342
  Mrv1652305171802152D          

 44 46  0  0  1  0            999 V2000
    3.0790   -0.7466    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5717    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.3341    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.5717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.9034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5080    1.7284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2224    2.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2224    0.4909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9370    1.7284    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6515    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.2399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    2.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.4727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    0.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0944    3.2217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.5899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.1774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -3.7332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14  4  1  6  0  0  0
  4 34  1  0  0  0  0
 15  5  1  1  0  0  0
  5 35  1  0  0  0  0
 16  6  1  6  0  0  0
  6 36  1  0  0  0  0
  7 19  1  0  0  0  0
  7 37  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
 17  9  1  1  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 20  2  0  0  0  0
 11 22  1  0  0  0  0
 12 20  1  0  0  0  0
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 13 22  1  0  0  0  0
 13 41  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 17 31  1  0  0  0  0
 18 19  1  1  0  0  0
 18 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  CHG  1   9   1
M  END

HMDB0061103
     RDKit          3D
lamotrigine-2-N-glucuronide
 44 46  0  0  0  0  0  0  0  0999 V2000
    3.2465    2.8270    0.4452 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    1.9621    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709    2.4710    0.4443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    1.6381    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964    2.1868    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842    0.3163    0.1427 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.2535   -0.5250    0.0450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0137   -0.0667   -1.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -0.8252   -1.2497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7820   -0.3635   -2.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8192   -0.9153   -2.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2358    0.6814   -3.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0721   -0.5830   -0.0531 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2603   -1.2365   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.2288    1.1305 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1282   -1.1197    2.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229   -0.6051    1.3279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3070   -1.4641    2.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459   -0.1774    0.0416 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383    0.6081    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -0.0031    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6076    0.3648    0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8689   -0.1914    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1227   -1.1480   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0951   -1.5325   -1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3904   -2.7510   -2.2418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8323   -0.9727   -0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -1.4947   -2.0358 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3302    3.3653    1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523    2.9165   -0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841    2.1462   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585    2.6460    1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -1.5812   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -1.9166   -1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2107    1.6398   -2.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2024    0.4945    0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9215   -0.6446   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.3022    0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0685   -1.3376    2.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1577    0.3385    1.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -1.3247    2.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4341    1.1175    1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6295    0.1560    1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1136   -1.5656   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 20  2  1  0
 27 21  1  0
 17  7  1  0
  1 29  1  0
  1 30  1  0
  5 31  1  0
  5 32  1  0
  7 33  1  6
  9 34  1  6
 12 35  1  0
 13 36  1  1
 14 37  1  0
 15 38  1  6
 16 39  1  0
 17 40  1  1
 18 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
M  CHG  1   6   1
M  END

164342
  Mrv1652305171802152D          

 44 46  0  0  1  0            999 V2000
    3.0790   -0.7466    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -1.5717    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.9370    0.9034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.1409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    2.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    1.7284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.3341    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -1.5717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515   -0.3341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -2.8092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.9034    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5080    1.7284    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2224    2.1409    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.2224    0.4909    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9370    1.7284    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6515    2.1409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9370   -0.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -1.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -3.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -2.8092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    0.3919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080    2.2399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    0.2351    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    2.3967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.4727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3505    0.7466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    2.6524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795    3.2217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    3.2217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -0.5899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6515    0.1774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7795   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0790   -3.7332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9215   -3.0649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
 14  4  1  6  0  0  0
  4 34  1  0  0  0  0
 15  5  1  1  0  0  0
  5 35  1  0  0  0  0
 16  6  1  6  0  0  0
  6 36  1  0  0  0  0
  7 19  1  0  0  0  0
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  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
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 15 16  1  0  0  0  0
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 18 33  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  2  0  0  0  0
 25 40  1  0  0  0  0
 26 28  2  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 44  1  0  0  0  0
M  CHG  1   9   1
M  END
> <DATABASE_ID>
HMDB0061103

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]OC(=O)[C@@]1([H])O[C@@]([H])([N+]2=NC(=C(N=C2N([H])[H])N([H])[H])C2=C(Cl)C(Cl)=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H15Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H4,18,19,20,26,27)/p+1/t8-,9-,10+,11-,13+/m0/s1

> <INCHI_KEY>
IEVMENHZPOWVGO-XPORZQOISA-O

> <FORMULA>
C15H16Cl2N5O6

> <MOLECULAR_WEIGHT>
433.22

> <EXACT_MASS>
432.0472151

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_POLARIZABILITY>
38.88798964925975

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-diamino-2-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-6-(2,3-dichlorophenyl)-1,2lambda5,4-triazin-2-ylium

> <ALOGPS_LOGP>
0.68

> <JCHEM_LOGP>
-3.011776096471746

> <ALOGPS_LOGS>
-3.12

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.513718310975491

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.0288976548992648

> <JCHEM_PKA_STRONGEST_BASIC>
-3.737111172849036

> <JCHEM_POLAR_SURFACE_AREA>
188.92000000000002

> <JCHEM_REFRACTIVITY>
108.59129999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.54e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,5-diamino-2-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-6-(2,3-dichlorophenyl)-1,2lambda5,4-triazin-2-ylium

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0061103
     RDKit          3D
lamotrigine-2-N-glucuronide
 44 46  0  0  0  0  0  0  0  0999 V2000
    3.2465    2.8270    0.4452 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    1.9621    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709    2.4710    0.4443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    1.6381    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964    2.1868    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842    0.3163    0.1427 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.2535   -0.5250    0.0450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0137   -0.0667   -1.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -0.8252   -1.2497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7820   -0.3635   -2.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8192   -0.9153   -2.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2358    0.6814   -3.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0721   -0.5830   -0.0531 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2603   -1.2365   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.2288    1.1305 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1282   -1.1197    2.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229   -0.6051    1.3279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3070   -1.4641    2.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459   -0.1774    0.0416 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383    0.6081    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -0.0031    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6076    0.3648    0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8689   -0.1914    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1227   -1.1480   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0951   -1.5325   -1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3904   -2.7510   -2.2418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8323   -0.9727   -0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -1.4947   -2.0358 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3302    3.3653    1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523    2.9165   -0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841    2.1462   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585    2.6460    1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -1.5812   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -1.9166   -1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2107    1.6398   -2.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2024    0.4945    0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9215   -0.6446   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.3022    0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0685   -1.3376    2.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1577    0.3385    1.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -1.3247    2.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4341    1.1175    1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6295    0.1560    1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1136   -1.5656   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 20  2  1  0
 27 21  1  0
 17  7  1  0
  1 29  1  0
  1 30  1  0
  5 31  1  0
  5 32  1  0
  7 33  1  6
  9 34  1  6
 12 35  1  0
 13 36  1  1
 14 37  1  0
 15 38  1  6
 16 39  1  0
 17 40  1  1
 18 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
M  CHG  1   6   1
M  END

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 164342                                            
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1 Cl   UNK     0       5.747  -1.394   0.000  0.00  0.00          Cl+0
HETATM    2 Cl   UNK     0       3.080  -2.934   0.000  0.00  0.00          Cl+0
HETATM    3  O   UNK     0      11.082   1.686   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       7.081   0.916   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       7.081   3.996   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       9.749   5.536   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      12.416   5.536   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      13.750   3.226   0.000  0.00  0.00           O+0
HETATM    9  N   UNK     0       9.749  -0.624   0.000  0.00  0.00           N+1
HETATM   10  N   UNK     0       8.415  -1.394   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      11.082  -2.934   0.000  0.00  0.00           N+0
HETATM   12  N   UNK     0      12.416  -0.624   0.000  0.00  0.00           N+0
HETATM   13  N   UNK     0       9.749  -5.244   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0       8.415   1.686   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.415   3.226   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.749   3.996   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.749   0.916   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.082   3.226   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.416   3.996   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.082  -1.394   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.415  -2.934   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.749  -3.704   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.081  -3.704   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.747  -2.934   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       7.081  -5.244   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.414  -3.704   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.747  -6.014   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       4.414  -5.244   0.000  0.00  0.00           C+0
HETATM   29  H   UNK     0       8.415   0.732   0.000  0.00  0.00           H+0
HETATM   30  H   UNK     0       8.415   4.181   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0      10.576   0.439   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      10.576   4.474   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      11.909   2.749   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0       6.254   1.394   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       7.081   4.951   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       8.922   6.014   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0      13.243   6.014   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      13.243  -1.101   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0      12.416   0.331   0.000  0.00  0.00           H+0
HETATM   40  H   UNK     0       7.908  -5.721   0.000  0.00  0.00           H+0
HETATM   41  H   UNK     0      10.576  -5.721   0.000  0.00  0.00           H+0
HETATM   42  H   UNK     0       8.922  -5.721   0.000  0.00  0.00           H+0
HETATM   43  H   UNK     0       5.747  -6.969   0.000  0.00  0.00           H+0
HETATM   44  H   UNK     0       3.587  -5.721   0.000  0.00  0.00           H+0
CONECT    1   24                                                            
CONECT    2   26                                                            
CONECT    3   17   18                                                       
CONECT    4   14   34                                                       
CONECT    5   15   35                                                       
CONECT    6   16   36                                                       
CONECT    7   19   37                                                       
CONECT    8   19                                                            
CONECT    9   10   17   20                                                  
CONECT   10    9   21                                                       
CONECT   11   20   22                                                       
CONECT   12   20   38   39                                                  
CONECT   13   22   41   42                                                  
CONECT   14    4   15   17   29                                             
CONECT   15    5   14   16   30                                             
CONECT   16    6   15   18   32                                             
CONECT   17    3    9   14   31                                             
CONECT   18    3   16   19   33                                             
CONECT   19    7    8   18                                                  
CONECT   20    9   11   12                                                  
CONECT   21   10   22   23                                                  
CONECT   22   11   13   21                                                  
CONECT   23   21   24   25                                                  
CONECT   24    1   23   26                                                  
CONECT   25   23   27   40                                                  
CONECT   26    2   24   28                                                  
CONECT   27   25   28   43                                                  
CONECT   28   26   27   44                                                  
CONECT   29   14                                                            
CONECT   30   15                                                            
CONECT   31   17                                                            
CONECT   32   16                                                            
CONECT   33   18                                                            
CONECT   34    4                                                            
CONECT   35    5                                                            
CONECT   36    6                                                            
CONECT   37    7                                                            
CONECT   38   12                                                            
CONECT   39   12                                                            
CONECT   40   25                                                            
CONECT   41   13                                                            
CONECT   42   13                                                            
CONECT   43   27                                                            
CONECT   44   28                                                            
MASTER        0    0    0    0    0    0    0    0   44    0   92    0
END

COMPND    HMDB0061103
HETATM    1  N1  UNL     1       3.246   2.827   0.445  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.104   1.962   0.341  1.00  0.00           C  
HETATM    3  N2  UNL     1       0.871   2.471   0.444  1.00  0.00           N  
HETATM    4  C2  UNL     1      -0.178   1.638   0.343  1.00  0.00           C  
HETATM    5  N3  UNL     1      -1.496   2.187   0.454  1.00  0.00           N  
HETATM    6  N4  UNL     1      -0.084   0.316   0.143  1.00  0.00           N1+
HETATM    7  C3  UNL     1      -1.254  -0.525   0.045  1.00  0.00           C  
HETATM    8  O1  UNL     1      -2.014  -0.067  -1.021  1.00  0.00           O  
HETATM    9  C4  UNL     1      -3.140  -0.825  -1.250  1.00  0.00           C  
HETATM   10  C5  UNL     1      -3.782  -0.363  -2.486  1.00  0.00           C  
HETATM   11  O2  UNL     1      -4.819  -0.915  -2.898  1.00  0.00           O  
HETATM   12  O3  UNL     1      -3.236   0.681  -3.190  1.00  0.00           O  
HETATM   13  C6  UNL     1      -4.072  -0.583  -0.053  1.00  0.00           C  
HETATM   14  O4  UNL     1      -5.260  -1.237  -0.366  1.00  0.00           O  
HETATM   15  C7  UNL     1      -3.382  -1.229   1.130  1.00  0.00           C  
HETATM   16  O5  UNL     1      -4.128  -1.120   2.289  1.00  0.00           O  
HETATM   17  C8  UNL     1      -2.023  -0.605   1.328  1.00  0.00           C  
HETATM   18  O6  UNL     1      -1.307  -1.464   2.188  1.00  0.00           O  
HETATM   19  N5  UNL     1       1.146  -0.177   0.042  1.00  0.00           N  
HETATM   20  C9  UNL     1       2.238   0.608   0.135  1.00  0.00           C  
HETATM   21  C10 UNL     1       3.571  -0.003   0.013  1.00  0.00           C  
HETATM   22  C11 UNL     1       4.608   0.365   0.844  1.00  0.00           C  
HETATM   23  C12 UNL     1       5.869  -0.191   0.756  1.00  0.00           C  
HETATM   24  C13 UNL     1       6.123  -1.148  -0.186  1.00  0.00           C  
HETATM   25  C14 UNL     1       5.095  -1.532  -1.031  1.00  0.00           C  
HETATM   26 CL1  UNL     1       5.390  -2.751  -2.242  1.00  0.00          CL  
HETATM   27  C15 UNL     1       3.832  -0.973  -0.939  1.00  0.00           C  
HETATM   28 CL2  UNL     1       2.562  -1.495  -2.036  1.00  0.00          CL  
HETATM   29  H1  UNL     1       3.330   3.365   1.336  1.00  0.00           H  
HETATM   30  H2  UNL     1       3.952   2.917  -0.316  1.00  0.00           H  
HETATM   31  H3  UNL     1      -2.184   2.146  -0.305  1.00  0.00           H  
HETATM   32  H4  UNL     1      -1.758   2.646   1.349  1.00  0.00           H  
HETATM   33  H5  UNL     1      -0.970  -1.581  -0.221  1.00  0.00           H  
HETATM   34  H6  UNL     1      -2.933  -1.917  -1.245  1.00  0.00           H  
HETATM   35  H7  UNL     1      -3.211   1.640  -2.843  1.00  0.00           H  
HETATM   36  H8  UNL     1      -4.202   0.494   0.134  1.00  0.00           H  
HETATM   37  H9  UNL     1      -5.922  -0.645  -0.808  1.00  0.00           H  
HETATM   38  H10 UNL     1      -3.199  -2.302   0.882  1.00  0.00           H  
HETATM   39  H11 UNL     1      -5.068  -1.338   2.062  1.00  0.00           H  
HETATM   40  H12 UNL     1      -2.158   0.339   1.854  1.00  0.00           H  
HETATM   41  H13 UNL     1      -0.334  -1.325   2.065  1.00  0.00           H  
HETATM   42  H14 UNL     1       4.434   1.118   1.596  1.00  0.00           H  
HETATM   43  H15 UNL     1       6.629   0.156   1.450  1.00  0.00           H  
HETATM   44  H16 UNL     1       7.114  -1.566  -0.233  1.00  0.00           H  
CONECT    1    2   29   30
CONECT    2    3    3   20
CONECT    3    4
CONECT    4    5    6    6
CONECT    5   31   32
CONECT    6    7   19
CONECT    7    8   17   33
CONECT    8    9
CONECT    9   10   13   34
CONECT   10   11   11   12
CONECT   12   35
CONECT   13   14   15   36
CONECT   14   37
CONECT   15   16   17   38
CONECT   16   39
CONECT   17   18   40
CONECT   18   41
CONECT   19   20   20
CONECT   20   21
CONECT   21   22   22   27
CONECT   22   23   42
CONECT   23   24   24   43
CONECT   24   25   44
CONECT   25   26   27   27
CONECT   27   28
END

HMDB0061103
     RDKit          3D
lamotrigine-2-N-glucuronide
 44 46  0  0  0  0  0  0  0  0999 V2000
    3.2465    2.8270    0.4452 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    1.9621    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8709    2.4710    0.4443 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1781    1.6381    0.3427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4964    2.1868    0.4539 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0842    0.3163    0.1427 N   0  0  0  0  0  4  0  0  0  0  0  0
   -1.2535   -0.5250    0.0450 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0137   -0.0667   -1.0205 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1401   -0.8252   -1.2497 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.7820   -0.3635   -2.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8192   -0.9153   -2.8979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2358    0.6814   -3.1903 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0721   -0.5830   -0.0531 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2603   -1.2365   -0.3658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3821   -1.2288    1.1305 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1282   -1.1197    2.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0229   -0.6051    1.3279 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3070   -1.4641    2.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1459   -0.1774    0.0416 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2383    0.6081    0.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5707   -0.0031    0.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6076    0.3648    0.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8689   -0.1914    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1227   -1.1480   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0951   -1.5325   -1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3904   -2.7510   -2.2418 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8323   -0.9727   -0.9395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -1.4947   -2.0358 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3302    3.3653    1.3364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9523    2.9165   -0.3164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841    2.1462   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7585    2.6460    1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9701   -1.5812   -0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9330   -1.9166   -1.2453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2107    1.6398   -2.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2024    0.4945    0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9215   -0.6446   -0.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -2.3022    0.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0685   -1.3376    2.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1577    0.3385    1.8544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -1.3247    2.0651 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4341    1.1175    1.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6295    0.1560    1.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1136   -1.5656   -0.2330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  9 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 20  2  1  0
 27 21  1  0
 17  7  1  0
  1 29  1  0
  1 30  1  0
  5 31  1  0
  5 32  1  0
  7 33  1  6
  9 34  1  6
 12 35  1  0
 13 36  1  1
 14 37  1  0
 15 38  1  6
 16 39  1  0
 17 40  1  1
 18 41  1  0
 22 42  1  0
 23 43  1  0
 24 44  1  0
M  CHG  1   6   1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Lamotrigine 2-N-glucuronide	HMDB

Chemical Formula

C₁₅H₁₆Cl₂N₅O₆

Average Molecular Weight

433.22

Monoisotopic Molecular Weight

432.0472151

IUPAC Name

3,5-diamino-2-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-6-(2,3-dichlorophenyl)-1,2lambda5,4-triazin-2-ylium

Traditional Name

3,5-diamino-2-[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-6-(2,3-dichlorophenyl)-1,2lambda5,4-triazin-2-ylium

CAS Registry Number

Not Available

SMILES

[H]OC(=O)[C@@]1([H])O[C@@]([H])([N+]2=NC(=C(N=C2N([H])[H])N([H])[H])C2=C(Cl)C(Cl)=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]

InChI Identifier

InChI=1S/C15H15Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H4,18,19,20,26,27)/p+1/t8-,9-,10+,11-,13+/m0/s1

InChI Key

IEVMENHZPOWVGO-XPORZQOISA-O

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

N-glucuronides

Alternative Parents

Substituents

N-glucuronide
N-glycosyl compound
Glycosyl compound
1,2-dichlorobenzene
Aminotriazine
Halobenzene
Chlorobenzene
Beta-hydroxy acid
Hydroxy acid
Aryl chloride
Oxane
Aryl halide
1,2,4-triazine
Monocyclic benzene moiety
Imidolactam
Benzenoid
Triazine
Pyran
Heteroaromatic compound
Amino acid
Secondary alcohol
Amino acid or derivatives
Oxacycle
Azacycle
Carboxylic acid derivative
Carboxylic acid
Organoheterocyclic compound
Polyol
Monocarboxylic acid or derivatives
Organopnictogen compound
Organic nitrogen compound
Carbonyl group
Amine
Alcohol
Primary amine
Organic oxide
Organonitrogen compound
Organochloride
Hydrocarbon derivative
Organohalogen compound
Organic cation
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Non-excretory biofluid

Blood (HMDB: HMDB0061103)

Excreta

Urine (HMDB: HMDB0061103)

Cellular substructure

Cytoplasm (HMDB: HMDB0061103)

Organ

Kidney (HMDB: HMDB0061103)
Liver (HMDB: HMDB0061103)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.073 g/L	ALOGPS
logP	0.68	ALOGPS
logP	-3	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	3.03	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	188.92 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	108.59 m³·mol⁻¹	ChemAxon
Polarizability	38.89 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	180.613	30932474
DeepCCS	[M-H]-	178.528	30932474
DeepCCS	[M-2H]-	212.508	30932474
DeepCCS	[M+Na]+	186.774	30932474
AllCCS	[M+H]+	188.9	32859911
AllCCS	[M+H-H2O]+	186.7	32859911
AllCCS	[M+NH4]+	190.9	32859911
AllCCS	[M+Na]+	191.5	32859911
AllCCS	[M-H]-	187.9	32859911
AllCCS	[M+Na-2H]-	188.0	32859911
AllCCS	[M+HCOO]-	188.2	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
lamotrigine-2-N-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])([N+]2=NC(=C(N=C2N([H])[H])N([H])[H])C2=C(Cl)C(Cl)=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3763.3	Standard polar	33892256
lamotrigine-2-N-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])([N+]2=NC(=C(N=C2N([H])[H])N([H])[H])C2=C(Cl)C(Cl)=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3236.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide	[H]OC(=O)[C@@]1([H])O[C@@]([H])([N+]2=NC(=C(N=C2N([H])[H])N([H])[H])C2=C(Cl)C(Cl)=C([H])C([H])=C2[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]	3038.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
lamotrigine-2-N-glucuronide,1TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O	3699.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TMS,isomer #2	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N)N=C1N	3781.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TMS,isomer #3	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@@H]1O	3773.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TMS,isomer #4	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@H]1O	3758.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	3891.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3821.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3585.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #10	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@H]1O[Si](C)(C)C	3626.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #11	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3688.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #12	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3744.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #13	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3686.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #14	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3742.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #15	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3874.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #16	C[Si](C)(C)N(C1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C	3735.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #17	C[Si](C)(C)N(C1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl)[Si](C)(C)C	3703.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3600.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3591.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3656.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3692.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #6	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@@H]1O[Si](C)(C)C	3628.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #7	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C)[C@H]1O	3617.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #8	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3703.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TMS,isomer #9	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3750.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3522.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #10	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3707.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O	3584.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3604.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #13	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@@H]1O[Si](C)(C)C	3562.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #14	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3596.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #15	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3636.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #16	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3596.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #17	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3640.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #18	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3728.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #19	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N	3598.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3526.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #20	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C	3627.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #21	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3604.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #22	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3646.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #23	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3718.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #24	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@@H]1O	3582.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #25	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	3624.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #26	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3727.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #27	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@H]1O	3594.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #28	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	3618.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #29	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	3728.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #3	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3584.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #30	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3703.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3605.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3540.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3591.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #7	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3619.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #8	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3586.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TMS,isomer #9	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3612.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #1	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3532.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #10	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3614.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #11	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3652.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3575.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3603.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #14	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3663.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #15	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3580.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #16	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3600.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #17	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	3669.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #18	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3647.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #19	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3598.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3571.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #20	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3628.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #21	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3642.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #22	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@@H]1O[Si](C)(C)C	3560.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #23	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3607.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #24	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3654.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #25	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@H]1O	3565.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3604.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #27	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3664.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #28	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3654.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #29	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3660.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3596.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@H]1O[Si](C)(C)C	3579.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #31	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3621.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #32	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3655.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #33	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3643.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #34	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3676.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #35	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3650.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #36	C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl)[Si](C)(C)C	3694.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3572.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3598.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #6	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3650.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3570.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3597.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TMS,isomer #9	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3588.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3600.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3282.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4935.9	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #10	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3657.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #10	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3466.6	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #10	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4630.1	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #11	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3660.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #11	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3313.2	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #11	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4658.9	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3601.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3423.3	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4929.7	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3620.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3421.9	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #13	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4931.2	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3666.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	3456.5	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O	4576.7	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #15	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3661.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #15	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3464.1	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #15	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4572.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #16	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3681.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #16	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	3447.1	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #16	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O	4636.0	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #17	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3664.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #17	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3454.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #17	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4633.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3696.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	3596.9	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #18	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4599.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #19	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3668.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #19	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3315.5	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #19	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4666.8	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3617.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3264.5	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4964.7	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@@H]1O[Si](C)(C)C	3594.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@@H]1O[Si](C)(C)C	3422.9	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #20	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@@H]1O[Si](C)(C)C	4927.2	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3630.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3421.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #21	C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4925.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #22	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3656.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #22	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3448.9	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #22	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4577.0	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #23	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3649.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #23	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3464.3	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #23	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4558.1	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #24	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3669.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #24	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3457.1	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #24	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4575.8	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #25	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3658.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #25	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3471.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #25	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4560.2	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C	3694.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C	3615.5	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #26	C[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C	4548.8	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #27	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3678.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #27	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3466.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #27	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4573.1	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #28	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3663.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #28	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3481.7	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #28	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4568.6	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	3691.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	3621.2	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #29	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O	4497.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3637.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3321.7	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4669.2	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	3701.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	3622.3	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #30	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O	4556.5	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3582.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3421.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #4	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4923.0	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3602.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	3419.3	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #5	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O	4921.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #6	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3651.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #6	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3316.9	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #6	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4660.5	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3596.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3418.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #7	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4917.4	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3610.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	3421.2	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C	4914.6	Standard polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3660.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	3458.3	Standard non polar	33892256
lamotrigine-2-N-glucuronide,5TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C	4646.1	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3671.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3346.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4449.8	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #10	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3693.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #10	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	3484.0	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #10	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4335.7	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3723.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	3628.9	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #11	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@@H]1O	4242.6	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3740.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	3620.3	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #12	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C	4304.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #13	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3699.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #13	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3471.6	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #13	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4351.2	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3694.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3480.6	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4325.8	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3717.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3619.5	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #15	C[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4230.7	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3730.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3630.7	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #16	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4235.9	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3738.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3639.2	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #17	C[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4238.5	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3633.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3434.1	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #2	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4787.2	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3642.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	3424.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C	4778.5	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #4	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3677.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #4	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	3477.4	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #4	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C	4357.7	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #5	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3672.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #5	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3484.1	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #5	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4332.5	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #6	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3704.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #6	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	3474.8	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #6	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C	4349.7	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #7	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3692.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #7	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	3485.0	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #7	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4327.3	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3724.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	3628.2	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #8	C[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@@H]1O	4302.5	Standard polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3706.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	3469.9	Standard non polar	33892256
lamotrigine-2-N-glucuronide,6TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O	4345.2	Standard polar	33892256
lamotrigine-2-N-glucuronide,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O	3992.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N)N=C1N	4004.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@@H]1O	4000.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@H]1O	3988.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4098.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4062.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4035.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4054.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4098.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4139.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4096.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4130.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4261.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[Si](C)(C)C(C)(C)C	4157.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)N(C1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl)[Si](C)(C)C(C)(C)C	4157.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4039.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4039.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4076.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4096.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	4053.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4048.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4108.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4139.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4116.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4239.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O	4220.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O	4225.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	4161.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4183.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4202.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4184.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4209.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4245.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N	4237.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4124.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]1[N+]1=NC(C2=CC=CC(Cl)=C2Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4255.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4187.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4216.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4242.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@@H]1O	4234.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O	4253.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4245.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@H](O)[C@H]1O	4234.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4251.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	4304.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4166.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4280.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4176.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4134.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4163.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4179.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4165.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4181.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4247.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4284.2	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4309.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4330.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	4346.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4322.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4345.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C	4354.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]1O	4386.6	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4385.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4298.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4262.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4319.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4306.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@@H]1O[Si](C)(C)C(C)(C)C	4342.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)O[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	4365.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4323.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4356.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4372.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4391.4	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4398.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4322.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C	4266.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4355.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](C(=O)O)O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4379.3	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	4376.9	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4384.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O	4395.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4397.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl)[Si](C)(C)C(C)(C)C	4458.0	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4272.5	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C2=CC=CC(Cl)=C2Cl)N=[N+]1[C@@H]1O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C	4274.7	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)N=C1C1=CC=CC(Cl)=C1Cl	4316.8	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4345.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)[C@H]1O[C@@H]([N+]2=NC(C3=CC=CC(Cl)=C3Cl)=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1O	4351.1	Semi standard non polar	33892256
lamotrigine-2-N-glucuronide,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N)=[N+]([C@@H]2O[C@H](C(=O)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)N=C1C1=CC=CC(Cl)=C1Cl	4278.8	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - lamotrigine-2-N-glucuronide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - lamotrigine-2-N-glucuronide 10V, Positive-QTOF	splash10-0a4i-0090200000-daa4fe8cfa7178444d0e	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - lamotrigine-2-N-glucuronide 20V, Positive-QTOF	splash10-0a4i-1191200000-90a10076192bb849e564	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - lamotrigine-2-N-glucuronide 40V, Positive-QTOF	splash10-0bt9-0590000000-3ea2534cb8cde012fe71	2019-02-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - lamotrigine-2-N-glucuronide 10V, Positive-QTOF	splash10-01q9-0010900000-2f145999d0e59fb170aa	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - lamotrigine-2-N-glucuronide 20V, Positive-QTOF	splash10-0a4i-0090000000-a40135c7a506bd54a0ee	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - lamotrigine-2-N-glucuronide 40V, Positive-QTOF	splash10-0bti-0490000000-e7ce0ca1f39688b2dca9	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

164342

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Not Available

Showing metabocard for lamotrigine-2-N-glucuronide (HMDB0061103)

MOL for HMDB0061103 (lamotrigine-2-N-glucuronide)

3D MOL for HMDB0061103 (lamotrigine-2-N-glucuronide)

3D SDF for HMDB0061103 (lamotrigine-2-N-glucuronide)

3D-SDF for HMDB0061103 (lamotrigine-2-N-glucuronide)

PDB for HMDB0061103 (lamotrigine-2-N-glucuronide)

3D PDB for HMDB0061103 (lamotrigine-2-N-glucuronide)

SMILES for HMDB0061103 (lamotrigine-2-N-glucuronide)

INCHI for HMDB0061103 (lamotrigine-2-N-glucuronide)

Structure for HMDB0061103 (lamotrigine-2-N-glucuronide)

3D Structure for HMDB0061103 (lamotrigine-2-N-glucuronide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra