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Showing metabocard for Amiloride (HMDB0014732)

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enzymes (9)transporters (3) Show 12 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:43 UTC
HMDB IDHMDB0014732
Secondary Accession Numbers
  • HMDB14732
Metabolite Identification
Common NameAmiloride
DescriptionA pyrazine compound inhibiting sodium reabsorption through sodium channels in renal epithelial cells. This inhibition creates a negative potential in the luminal membranes of principal cells, located in the distal convoluted tubule and collecting duct. Negative potential reduces secretion of potassium and hydrogen ions. Amiloride is used in conjunction with diuretics to spare potassium loss. (From Gilman et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 9th ed, p705)
Structure
Data?1582753214
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014732 (Amiloride)

594
  Mrv0541 02231214482D          

 15 15  0  0  0  0            999 V2000
    6.3799   -0.0784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.9842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
Download

3D MOL for HMDB0014732 (Amiloride)

HMDB0014732
     RDKit          3D
Amiloride
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.5277    1.2125    0.5182 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.1893   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7240    0.3932   -1.4521 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972   -0.9256   -0.4594 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033   -1.1879    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   -1.9271    1.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2385   -0.6271    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130    0.1673   -0.5900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8866    0.6607   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3669    1.6967   -1.9529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039    0.3751    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1153    0.9270    0.2561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252   -0.4197    1.3719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556   -0.9195    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439   -1.7601    2.4830 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    1.3573    1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924    1.8181    0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    1.1305   -2.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5838   -0.1897   -1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5216    1.5366    1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6492    0.6902   -0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404   -1.3971    3.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638   -2.8006    2.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14  7  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  3 19  1  0
 12 20  1  0
 12 21  1  0
 15 22  1  0
 15 23  1  0
M  END
Download

3D SDF for HMDB0014732 (Amiloride)

594
  Mrv0541 02231214482D          

 15 15  0  0  0  0            999 V2000
    6.3799   -0.0784    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8075   -0.4909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -0.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220    0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -1.7284    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.9842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.7466    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.3159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.4909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    1.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 14  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  2  0  0  0  0
  4 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5 11  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  2  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014732

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)

> <INCHI_KEY>
XSDQTOBWRPYKKA-UHFFFAOYSA-N

> <FORMULA>
C6H8ClN7O

> <MOLECULAR_WEIGHT>
229.627

> <EXACT_MASS>
229.04788562

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
19.99291748770876

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide

> <ALOGPS_LOGP>
-0.72

> <JCHEM_LOGP>
-0.8903691166666666

> <ALOGPS_LOGS>
-2.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.691859100323214

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.458863179588512

> <JCHEM_PKA_STRONGEST_BASIC>
3.2857540348413337

> <JCHEM_POLAR_SURFACE_AREA>
159.29000000000002

> <JCHEM_REFRACTIVITY>
56.688399999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.22e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
amiloride

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0014732 (Amiloride)

HMDB0014732
     RDKit          3D
Amiloride
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.5277    1.2125    0.5182 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7449    0.1893   -0.4457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7240    0.3932   -1.4521 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0972   -0.9256   -0.4594 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1033   -1.1879    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253   -1.9271    1.4870 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2385   -0.6271    0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6130    0.1673   -0.5900 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8866    0.6607   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3669    1.6967   -1.9529 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8039    0.3751    0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1153    0.9270    0.2561 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4252   -0.4197    1.3719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1556   -0.9195    1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7439   -1.7601    2.4830 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    1.3573    1.2354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6924    1.8181    0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5544    1.1305   -2.1602 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5838   -0.1897   -1.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5216    1.5366    1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6492    0.6902   -0.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4404   -1.3971    3.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7638   -2.8006    2.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14  7  1  0
  1 16  1  0
  1 17  1  0
  3 18  1  0
  3 19  1  0
 12 20  1  0
 12 21  1  0
 15 22  1  0
 15 23  1  0
M  END
Download

PDB for HMDB0014732 (Amiloride)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 594                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Cl   UNK     0      11.909  -0.146   0.000  0.00  0.00          Cl+0
HETATM    2  O   UNK     0       5.241  -0.916   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0       9.242  -3.226   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       9.242  -0.146   0.000  0.00  0.00           N+0
HETATM    5  N   UNK     0       6.574  -3.226   0.000  0.00  0.00           N+0
HETATM    6  N   UNK     0       6.574   1.394   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0      11.909  -3.226   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0       5.241   3.704   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0       3.907   1.394   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       7.908  -0.916   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.908  -2.456   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.576  -2.456   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.576  -0.916   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.574  -0.146   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.241   2.164   0.000  0.00  0.00           C+0
CONECT    1   13                                                            
CONECT    2   14                                                            
CONECT    3   11   12                                                       
CONECT    4   10   13                                                       
CONECT    5   11                                                            
CONECT    6   14   15                                                       
CONECT    7   12                                                            
CONECT    8   15                                                            
CONECT    9   15                                                            
CONECT   10    4   11   14                                                  
CONECT   11    3    5   10                                                  
CONECT   12    3    7   13                                                  
CONECT   13    1    4   12                                                  
CONECT   14    2    6   10                                                  
CONECT   15    6    8    9                                                  
MASTER        0    0    0    0    0    0    0    0   15    0   30    0
END
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3D PDB for HMDB0014732 (Amiloride)

COMPND    HMDB0014732
HETATM    1  N1  UNL     1       2.528   1.212   0.518  1.00  0.00           N  
HETATM    2  C1  UNL     1       2.745   0.189  -0.446  1.00  0.00           C  
HETATM    3  N2  UNL     1       3.724   0.393  -1.452  1.00  0.00           N  
HETATM    4  N3  UNL     1       2.097  -0.926  -0.459  1.00  0.00           N  
HETATM    5  C2  UNL     1       1.103  -1.188   0.524  1.00  0.00           C  
HETATM    6  O1  UNL     1       1.425  -1.927   1.487  1.00  0.00           O  
HETATM    7  C3  UNL     1      -0.238  -0.627   0.429  1.00  0.00           C  
HETATM    8  N4  UNL     1      -0.613   0.167  -0.590  1.00  0.00           N  
HETATM    9  C4  UNL     1      -1.887   0.661  -0.620  1.00  0.00           C  
HETATM   10 CL1  UNL     1      -2.367   1.697  -1.953  1.00  0.00          CL  
HETATM   11  C5  UNL     1      -2.804   0.375   0.355  1.00  0.00           C  
HETATM   12  N5  UNL     1      -4.115   0.927   0.256  1.00  0.00           N  
HETATM   13  N6  UNL     1      -2.425  -0.420   1.372  1.00  0.00           N  
HETATM   14  C6  UNL     1      -1.156  -0.919   1.414  1.00  0.00           C  
HETATM   15  N7  UNL     1      -0.744  -1.760   2.483  1.00  0.00           N  
HETATM   16  H1  UNL     1       3.271   1.357   1.235  1.00  0.00           H  
HETATM   17  H2  UNL     1       1.692   1.818   0.558  1.00  0.00           H  
HETATM   18  H3  UNL     1       3.554   1.130  -2.160  1.00  0.00           H  
HETATM   19  H4  UNL     1       4.584  -0.190  -1.466  1.00  0.00           H  
HETATM   20  H5  UNL     1      -4.522   1.537   1.010  1.00  0.00           H  
HETATM   21  H6  UNL     1      -4.649   0.690  -0.610  1.00  0.00           H  
HETATM   22  H7  UNL     1      -0.440  -1.397   3.413  1.00  0.00           H  
HETATM   23  H8  UNL     1      -0.764  -2.801   2.275  1.00  0.00           H  
CONECT    1    2   16   17
CONECT    2    3    4    4
CONECT    3   18   19
CONECT    4    5
CONECT    5    6    6    7
CONECT    7    8    8   14
CONECT    8    9
CONECT    9   10   11   11
CONECT   11   12   13
CONECT   12   20   21
CONECT   13   14   14
CONECT   14   15
CONECT   15   22   23
END
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SMILES for HMDB0014732 (Amiloride)

NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1
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INCHI for HMDB0014732 (Amiloride)

InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
3,5-Diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamideChEBI
AmiloridaChEBI
AmiloridumChEBI
N-Amidino-3,5-diamino-6-chloropyrazinecarboxamideChEBI
AmiclaranKegg
Amiloride hydrochloride hydrateHMDB
AmylorideHMDB
Amiloride hydrochloride, anhydrousHMDB
Hydrochloride, anhydrous amilorideHMDB
Merck sharp and dohme brand OF amiloride hydrochlorideHMDB
ModamideHMDB
Amiduret tromHMDB
Amiloride hydrochlorideHMDB
Amrad brand OF amiloride hydrochlorideHMDB
Douglas brand OF amiloride hydrochlorideHMDB
Hydrochloride, amilorideHMDB
KalurilHMDB
MidamorHMDB
Berolina brand OF amiloride hydrochlorideHMDB
Cahill may roberts brand OF amiloride hydrochlorideHMDB
Trom, amiduretHMDB
Trommsdorff brand OF amiloride hydrochlorideHMDB
Alphapharm brand OF amiloride hydrochlorideHMDB
AmidalHMDB
AmiloberagHMDB
Anhydrous amiloride hydrochlorideHMDB
Merck brand OF amiloride hydrochlorideHMDB
MidorideHMDB
Chemical FormulaC6H8ClN7O
Average Molecular Weight229.627
Monoisotopic Molecular Weight229.04788562
IUPAC Name3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
Traditional Nameamiloride
CAS Registry Number2016-88-8
SMILES
NC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N1
InChI Identifier
InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
InChI KeyXSDQTOBWRPYKKA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminopyrazines. These are organic compounds containing an amino group attached to a pyrazine ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentAminopyrazines
Alternative Parents
Substituents
  • Aminopyrazine
  • Aryl chloride
  • Aryl halide
  • Imidolactam
  • Heteroaromatic compound
  • Carboximidamide
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Amine
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Imine
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Not AvailableNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point240 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.22 g/LNot Available
LogP-0.3Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available145.691http://allccs.zhulab.cn/database/detail?ID=AllCCS00000935
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.22 g/LALOGPS
logP-0.72ALOGPS
logP-0.89ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)16.46ChemAxon
pKa (Strongest Basic)3.29ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area159.29 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity56.69 m³·mol⁻¹ChemAxon
Polarizability19.99 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+152.35430932474
DeepCCS[M-H]-149.99630932474
DeepCCS[M-2H]-183.10130932474
DeepCCS[M+Na]+158.44730932474
AllCCS[M+H]+149.132859911
AllCCS[M+H-H2O]+145.332859911
AllCCS[M+NH4]+152.532859911
AllCCS[M+Na]+153.532859911
AllCCS[M-H]-144.332859911
AllCCS[M+Na-2H]-144.932859911
AllCCS[M+HCOO]-145.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AmilorideNC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N13124.0Standard polar33892256
AmilorideNC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N12362.7Standard non polar33892256
AmilorideNC(N)=NC(=O)C1=C(N)N=C(N)C(Cl)=N12596.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Amiloride,1TMS,isomer #1C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N2585.8Semi standard non polar33892256
Amiloride,1TMS,isomer #1C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N2397.5Standard non polar33892256
Amiloride,1TMS,isomer #1C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N4862.1Standard polar33892256
Amiloride,1TMS,isomer #2C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N2578.3Semi standard non polar33892256
Amiloride,1TMS,isomer #2C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N2440.8Standard non polar33892256
Amiloride,1TMS,isomer #2C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N4858.2Standard polar33892256
Amiloride,1TMS,isomer #3C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl2662.3Semi standard non polar33892256
Amiloride,1TMS,isomer #3C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl2429.1Standard non polar33892256
Amiloride,1TMS,isomer #3C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl4911.5Standard polar33892256
Amiloride,2TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N[Si](C)(C)C2624.4Semi standard non polar33892256
Amiloride,2TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N[Si](C)(C)C2399.7Standard non polar33892256
Amiloride,2TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N[Si](C)(C)C4625.1Standard polar33892256
Amiloride,2TMS,isomer #2C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N2683.9Semi standard non polar33892256
Amiloride,2TMS,isomer #2C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N2463.0Standard non polar33892256
Amiloride,2TMS,isomer #2C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N4641.3Standard polar33892256
Amiloride,2TMS,isomer #3C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C2597.1Semi standard non polar33892256
Amiloride,2TMS,isomer #3C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C2470.0Standard non polar33892256
Amiloride,2TMS,isomer #3C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C4612.8Standard polar33892256
Amiloride,2TMS,isomer #4C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N)[Si](C)(C)C2622.8Semi standard non polar33892256
Amiloride,2TMS,isomer #4C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N)[Si](C)(C)C2463.4Standard non polar33892256
Amiloride,2TMS,isomer #4C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N)[Si](C)(C)C4781.5Standard polar33892256
Amiloride,2TMS,isomer #5C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl2658.1Semi standard non polar33892256
Amiloride,2TMS,isomer #5C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl2516.2Standard non polar33892256
Amiloride,2TMS,isomer #5C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl4603.3Standard polar33892256
Amiloride,2TMS,isomer #6C[Si](C)(C)N(C1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N)[Si](C)(C)C2522.9Semi standard non polar33892256
Amiloride,2TMS,isomer #6C[Si](C)(C)N(C1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N)[Si](C)(C)C2522.2Standard non polar33892256
Amiloride,2TMS,isomer #6C[Si](C)(C)N(C1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N)[Si](C)(C)C4847.9Standard polar33892256
Amiloride,2TMS,isomer #7C[Si](C)(C)N(C1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C2614.7Semi standard non polar33892256
Amiloride,2TMS,isomer #7C[Si](C)(C)N(C1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C2528.1Standard non polar33892256
Amiloride,2TMS,isomer #7C[Si](C)(C)N(C1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C4872.6Standard polar33892256
Amiloride,3TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N)N[Si](C)(C)C2672.2Semi standard non polar33892256
Amiloride,3TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N)N[Si](C)(C)C2387.9Standard non polar33892256
Amiloride,3TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N)N[Si](C)(C)C4333.7Standard polar33892256
Amiloride,3TMS,isomer #10C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl2610.7Semi standard non polar33892256
Amiloride,3TMS,isomer #10C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl2562.4Standard non polar33892256
Amiloride,3TMS,isomer #10C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl4445.7Standard polar33892256
Amiloride,3TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C)N[Si](C)(C)C2624.8Semi standard non polar33892256
Amiloride,3TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C)N[Si](C)(C)C2376.0Standard non polar33892256
Amiloride,3TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C)N[Si](C)(C)C4327.9Standard polar33892256
Amiloride,3TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C)[Si](C)(C)C2575.8Semi standard non polar33892256
Amiloride,3TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C)[Si](C)(C)C2376.4Standard non polar33892256
Amiloride,3TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C)[Si](C)(C)C4369.0Standard polar33892256
Amiloride,3TMS,isomer #4C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C2652.0Semi standard non polar33892256
Amiloride,3TMS,isomer #4C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C2476.9Standard non polar33892256
Amiloride,3TMS,isomer #4C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C4361.6Standard polar33892256
Amiloride,3TMS,isomer #5C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2684.4Semi standard non polar33892256
Amiloride,3TMS,isomer #5C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2498.9Standard non polar33892256
Amiloride,3TMS,isomer #5C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl4490.7Standard polar33892256
Amiloride,3TMS,isomer #6C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N2637.3Semi standard non polar33892256
Amiloride,3TMS,isomer #6C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N2544.5Standard non polar33892256
Amiloride,3TMS,isomer #6C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N4512.7Standard polar33892256
Amiloride,3TMS,isomer #7C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C2633.9Semi standard non polar33892256
Amiloride,3TMS,isomer #7C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C2487.4Standard non polar33892256
Amiloride,3TMS,isomer #7C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C4467.4Standard polar33892256
Amiloride,3TMS,isomer #8C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C2571.6Semi standard non polar33892256
Amiloride,3TMS,isomer #8C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C2498.8Standard non polar33892256
Amiloride,3TMS,isomer #8C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C4513.3Standard polar33892256
Amiloride,3TMS,isomer #9C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N2622.6Semi standard non polar33892256
Amiloride,3TMS,isomer #9C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N2573.2Standard non polar33892256
Amiloride,3TMS,isomer #9C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N4426.0Standard polar33892256
Amiloride,4TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C)N[Si](C)(C)C2716.6Semi standard non polar33892256
Amiloride,4TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C)N[Si](C)(C)C2359.3Standard non polar33892256
Amiloride,4TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C)N[Si](C)(C)C4051.2Standard polar33892256
Amiloride,4TMS,isomer #10C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)[Si](C)(C)C2684.4Semi standard non polar33892256
Amiloride,4TMS,isomer #10C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)[Si](C)(C)C2613.5Standard non polar33892256
Amiloride,4TMS,isomer #10C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)[Si](C)(C)C4370.5Standard polar33892256
Amiloride,4TMS,isomer #11C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2623.1Semi standard non polar33892256
Amiloride,4TMS,isomer #11C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2536.3Standard non polar33892256
Amiloride,4TMS,isomer #11C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4369.4Standard polar33892256
Amiloride,4TMS,isomer #12C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C2634.7Semi standard non polar33892256
Amiloride,4TMS,isomer #12C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C2632.4Standard non polar33892256
Amiloride,4TMS,isomer #12C[Si](C)(C)N(C1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C4257.0Standard polar33892256
Amiloride,4TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C2645.6Semi standard non polar33892256
Amiloride,4TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C2389.5Standard non polar33892256
Amiloride,4TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C4044.2Standard polar33892256
Amiloride,4TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N[Si](C)(C)C2675.6Semi standard non polar33892256
Amiloride,4TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N[Si](C)(C)C2422.8Standard non polar33892256
Amiloride,4TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N[Si](C)(C)C4113.6Standard polar33892256
Amiloride,4TMS,isomer #4C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2624.0Semi standard non polar33892256
Amiloride,4TMS,isomer #4C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2394.1Standard non polar33892256
Amiloride,4TMS,isomer #4C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C4037.1Standard polar33892256
Amiloride,4TMS,isomer #5C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2643.0Semi standard non polar33892256
Amiloride,4TMS,isomer #5C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2357.7Standard non polar33892256
Amiloride,4TMS,isomer #5C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C4132.2Standard polar33892256
Amiloride,4TMS,isomer #6C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2551.3Semi standard non polar33892256
Amiloride,4TMS,isomer #6C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2515.0Standard non polar33892256
Amiloride,4TMS,isomer #6C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C4155.7Standard polar33892256
Amiloride,4TMS,isomer #7C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2698.8Semi standard non polar33892256
Amiloride,4TMS,isomer #7C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2501.8Standard non polar33892256
Amiloride,4TMS,isomer #7C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl4168.6Standard polar33892256
Amiloride,4TMS,isomer #8C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C2662.6Semi standard non polar33892256
Amiloride,4TMS,isomer #8C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C2513.4Standard non polar33892256
Amiloride,4TMS,isomer #8C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C4146.4Standard polar33892256
Amiloride,4TMS,isomer #9C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C2656.0Semi standard non polar33892256
Amiloride,4TMS,isomer #9C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C2496.8Standard non polar33892256
Amiloride,4TMS,isomer #9C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C4167.8Standard polar33892256
Amiloride,5TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2701.4Semi standard non polar33892256
Amiloride,5TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2418.4Standard non polar33892256
Amiloride,5TMS,isomer #1C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3696.3Standard polar33892256
Amiloride,5TMS,isomer #10C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C2724.3Semi standard non polar33892256
Amiloride,5TMS,isomer #10C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C2585.0Standard non polar33892256
Amiloride,5TMS,isomer #10C[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C3964.3Standard polar33892256
Amiloride,5TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C)N[Si](C)(C)C2731.2Semi standard non polar33892256
Amiloride,5TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C)N[Si](C)(C)C2433.8Standard non polar33892256
Amiloride,5TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C)N[Si](C)(C)C3700.5Standard polar33892256
Amiloride,5TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2732.8Semi standard non polar33892256
Amiloride,5TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2410.8Standard non polar33892256
Amiloride,5TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C3734.4Standard polar33892256
Amiloride,5TMS,isomer #4C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2664.4Semi standard non polar33892256
Amiloride,5TMS,isomer #4C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2542.6Standard non polar33892256
Amiloride,5TMS,isomer #4C[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl3798.9Standard polar33892256
Amiloride,5TMS,isomer #5C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C2676.6Semi standard non polar33892256
Amiloride,5TMS,isomer #5C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C2529.4Standard non polar33892256
Amiloride,5TMS,isomer #5C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C3852.5Standard polar33892256
Amiloride,5TMS,isomer #6C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2643.3Semi standard non polar33892256
Amiloride,5TMS,isomer #6C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2538.5Standard non polar33892256
Amiloride,5TMS,isomer #6C[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3790.8Standard polar33892256
Amiloride,5TMS,isomer #7C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2643.2Semi standard non polar33892256
Amiloride,5TMS,isomer #7C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2468.5Standard non polar33892256
Amiloride,5TMS,isomer #7C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3873.7Standard polar33892256
Amiloride,5TMS,isomer #8C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C2747.8Semi standard non polar33892256
Amiloride,5TMS,isomer #8C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C2592.8Standard non polar33892256
Amiloride,5TMS,isomer #8C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C3976.3Standard polar33892256
Amiloride,5TMS,isomer #9C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2724.7Semi standard non polar33892256
Amiloride,5TMS,isomer #9C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2562.4Standard non polar33892256
Amiloride,5TMS,isomer #9C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl4000.6Standard polar33892256
Amiloride,6TMS,isomer #1C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2755.8Semi standard non polar33892256
Amiloride,6TMS,isomer #1C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2565.8Standard non polar33892256
Amiloride,6TMS,isomer #1C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl3368.4Standard polar33892256
Amiloride,6TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2756.9Semi standard non polar33892256
Amiloride,6TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2553.1Standard non polar33892256
Amiloride,6TMS,isomer #2C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3394.8Standard polar33892256
Amiloride,6TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2752.2Semi standard non polar33892256
Amiloride,6TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2526.7Standard non polar33892256
Amiloride,6TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3424.5Standard polar33892256
Amiloride,6TMS,isomer #4C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2798.3Semi standard non polar33892256
Amiloride,6TMS,isomer #4C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C2530.4Standard non polar33892256
Amiloride,6TMS,isomer #4C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N[Si](C)(C)C3427.3Standard polar33892256
Amiloride,6TMS,isomer #5C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2775.0Semi standard non polar33892256
Amiloride,6TMS,isomer #5C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2693.7Standard non polar33892256
Amiloride,6TMS,isomer #5C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3624.6Standard polar33892256
Amiloride,6TMS,isomer #6C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2740.5Semi standard non polar33892256
Amiloride,6TMS,isomer #6C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2627.8Standard non polar33892256
Amiloride,6TMS,isomer #6C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3646.0Standard polar33892256
Amiloride,6TMS,isomer #7C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2824.8Semi standard non polar33892256
Amiloride,6TMS,isomer #7C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2684.7Standard non polar33892256
Amiloride,6TMS,isomer #7C[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3822.3Standard polar33892256
Amiloride,7TMS,isomer #1C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2865.0Semi standard non polar33892256
Amiloride,7TMS,isomer #1C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2717.4Standard non polar33892256
Amiloride,7TMS,isomer #1C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3122.9Standard polar33892256
Amiloride,7TMS,isomer #2C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2859.9Semi standard non polar33892256
Amiloride,7TMS,isomer #2C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl2682.9Standard non polar33892256
Amiloride,7TMS,isomer #2C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=C(C(=O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)N=C1Cl3150.3Standard polar33892256
Amiloride,7TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2882.2Semi standard non polar33892256
Amiloride,7TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2669.3Standard non polar33892256
Amiloride,7TMS,isomer #3C[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C3172.8Standard polar33892256
Amiloride,8TMS,isomer #1C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C3000.7Semi standard non polar33892256
Amiloride,8TMS,isomer #1C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2839.1Standard non polar33892256
Amiloride,8TMS,isomer #1C[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C)[Si](C)(C)C)N=C1N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2948.3Standard polar33892256
Amiloride,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N2860.5Semi standard non polar33892256
Amiloride,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N2561.7Standard non polar33892256
Amiloride,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N4844.9Standard polar33892256
Amiloride,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N2793.5Semi standard non polar33892256
Amiloride,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N2651.6Standard non polar33892256
Amiloride,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N4914.4Standard polar33892256
Amiloride,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl2888.6Semi standard non polar33892256
Amiloride,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl2637.5Standard non polar33892256
Amiloride,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl4964.5Standard polar33892256
Amiloride,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N[Si](C)(C)C(C)(C)C3052.1Semi standard non polar33892256
Amiloride,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N[Si](C)(C)C(C)(C)C2662.7Standard non polar33892256
Amiloride,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N[Si](C)(C)C(C)(C)C4423.4Standard polar33892256
Amiloride,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N3101.2Semi standard non polar33892256
Amiloride,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N2799.6Standard non polar33892256
Amiloride,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N4589.6Standard polar33892256
Amiloride,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C3041.6Semi standard non polar33892256
Amiloride,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C2798.3Standard non polar33892256
Amiloride,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C4561.9Standard polar33892256
Amiloride,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N)[Si](C)(C)C(C)(C)C2982.9Semi standard non polar33892256
Amiloride,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N)[Si](C)(C)C(C)(C)C2811.7Standard non polar33892256
Amiloride,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N)[Si](C)(C)C(C)(C)C4706.3Standard polar33892256
Amiloride,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl3052.3Semi standard non polar33892256
Amiloride,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl2906.1Standard non polar33892256
Amiloride,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl4584.2Standard polar33892256
Amiloride,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N)[Si](C)(C)C(C)(C)C2893.0Semi standard non polar33892256
Amiloride,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N)[Si](C)(C)C(C)(C)C2896.0Standard non polar33892256
Amiloride,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N)[Si](C)(C)C(C)(C)C4789.7Standard polar33892256
Amiloride,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C(C)(C)C2987.1Semi standard non polar33892256
Amiloride,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C(C)(C)C2923.1Standard non polar33892256
Amiloride,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C(C)(C)C4812.8Standard polar33892256
Amiloride,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N)N[Si](C)(C)C(C)(C)C3288.5Semi standard non polar33892256
Amiloride,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N)N[Si](C)(C)C(C)(C)C2831.0Standard non polar33892256
Amiloride,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N)N[Si](C)(C)C(C)(C)C4201.1Standard polar33892256
Amiloride,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl3149.5Semi standard non polar33892256
Amiloride,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl3107.9Standard non polar33892256
Amiloride,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl4453.6Standard polar33892256
Amiloride,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3256.1Semi standard non polar33892256
Amiloride,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2820.4Standard non polar33892256
Amiloride,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4193.0Standard polar33892256
Amiloride,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3126.0Semi standard non polar33892256
Amiloride,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2940.6Standard non polar33892256
Amiloride,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4258.2Standard polar33892256
Amiloride,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C3230.4Semi standard non polar33892256
Amiloride,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C2956.5Standard non polar33892256
Amiloride,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C4360.0Standard polar33892256
Amiloride,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3226.4Semi standard non polar33892256
Amiloride,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3006.7Standard non polar33892256
Amiloride,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl4486.5Standard polar33892256
Amiloride,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N3134.9Semi standard non polar33892256
Amiloride,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N3020.2Standard non polar33892256
Amiloride,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N4507.1Standard polar33892256
Amiloride,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3186.7Semi standard non polar33892256
Amiloride,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2994.5Standard non polar33892256
Amiloride,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4460.1Standard polar33892256
Amiloride,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3067.5Semi standard non polar33892256
Amiloride,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2987.9Standard non polar33892256
Amiloride,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4498.9Standard polar33892256
Amiloride,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N3157.7Semi standard non polar33892256
Amiloride,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N3115.1Standard non polar33892256
Amiloride,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N4434.3Standard polar33892256
Amiloride,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3450.7Semi standard non polar33892256
Amiloride,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2967.3Standard non polar33892256
Amiloride,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3954.3Standard polar33892256
Amiloride,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)[Si](C)(C)C(C)(C)C3371.6Semi standard non polar33892256
Amiloride,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)[Si](C)(C)C(C)(C)C3226.5Standard non polar33892256
Amiloride,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)[Si](C)(C)C(C)(C)C4455.0Standard polar33892256
Amiloride,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3318.7Semi standard non polar33892256
Amiloride,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3185.9Standard non polar33892256
Amiloride,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)N(C(N)=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4451.2Standard polar33892256
Amiloride,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C(C)(C)C3304.8Semi standard non polar33892256
Amiloride,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C(C)(C)C3322.5Standard non polar33892256
Amiloride,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)N(C1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N)N=C1Cl)[Si](C)(C)C(C)(C)C4333.5Standard polar33892256
Amiloride,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3386.7Semi standard non polar33892256
Amiloride,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3108.0Standard non polar33892256
Amiloride,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4032.0Standard polar33892256
Amiloride,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)N[Si](C)(C)C(C)(C)C3384.4Semi standard non polar33892256
Amiloride,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)N[Si](C)(C)C(C)(C)C3052.0Standard non polar33892256
Amiloride,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)N[Si](C)(C)C(C)(C)C4067.7Standard polar33892256
Amiloride,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3354.3Semi standard non polar33892256
Amiloride,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3102.1Standard non polar33892256
Amiloride,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4028.0Standard polar33892256
Amiloride,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3334.9Semi standard non polar33892256
Amiloride,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3003.1Standard non polar33892256
Amiloride,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C4088.8Standard polar33892256
Amiloride,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3337.4Semi standard non polar33892256
Amiloride,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3194.8Standard non polar33892256
Amiloride,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)N(C(=NC(=O)C1=NC(Cl)=C(N)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4140.7Standard polar33892256
Amiloride,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3408.5Semi standard non polar33892256
Amiloride,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3153.3Standard non polar33892256
Amiloride,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl4254.9Standard polar33892256
Amiloride,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C3325.0Semi standard non polar33892256
Amiloride,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C3158.8Standard non polar33892256
Amiloride,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C4214.1Standard polar33892256
Amiloride,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3319.9Semi standard non polar33892256
Amiloride,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3143.1Standard non polar33892256
Amiloride,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4237.1Standard polar33892256
Amiloride,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3592.0Semi standard non polar33892256
Amiloride,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3279.8Standard non polar33892256
Amiloride,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3800.7Standard polar33892256
Amiloride,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3496.9Semi standard non polar33892256
Amiloride,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3373.6Standard non polar33892256
Amiloride,5TBDMS,isomer #10CC(C)(C)[Si](C)(C)NC(N)=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4099.3Standard polar33892256
Amiloride,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3583.1Semi standard non polar33892256
Amiloride,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3215.6Standard non polar33892256
Amiloride,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3787.9Standard polar33892256
Amiloride,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3581.0Semi standard non polar33892256
Amiloride,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3206.3Standard non polar33892256
Amiloride,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N[Si](C)(C)C(C)(C)C)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C3810.8Standard polar33892256
Amiloride,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3607.5Semi standard non polar33892256
Amiloride,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3381.5Standard non polar33892256
Amiloride,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC1=NC(N)=C(C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3907.3Standard polar33892256
Amiloride,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3543.8Semi standard non polar33892256
Amiloride,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3349.3Standard non polar33892256
Amiloride,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3953.1Standard polar33892256
Amiloride,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3577.6Semi standard non polar33892256
Amiloride,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3368.8Standard non polar33892256
Amiloride,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)NC1=NC(N)=C(Cl)N=C1C(=O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3903.5Standard polar33892256
Amiloride,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3500.0Semi standard non polar33892256
Amiloride,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3307.4Standard non polar33892256
Amiloride,5TBDMS,isomer #7CC(C)(C)[Si](C)(C)NC(=NC(=O)C1=NC(Cl)=C(N)N=C1N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3972.2Standard polar33892256
Amiloride,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3572.2Semi standard non polar33892256
Amiloride,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3375.6Standard non polar33892256
Amiloride,5TBDMS,isomer #8CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(Cl)N=C1C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C4147.3Standard polar33892256
Amiloride,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3556.0Semi standard non polar33892256
Amiloride,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl3362.9Standard non polar33892256
Amiloride,5TBDMS,isomer #9CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C(C(=O)N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C1Cl4166.9Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Amiloride GC-MS (Non-derivatized) - 70eV, Positivesplash10-00di-4910000000-f80bb6f7fb35a8efbdf72017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Amiloride GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 35V, Negative-QTOFsplash10-000l-0900000000-01a9bfe8bb440f40ba292021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 15V, Negative-QTOFsplash10-002o-0930000000-549dfce5a4e98ec55d422021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 45V, Negative-QTOFsplash10-0aou-2900000000-6d0de88c2c345da870902021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 30V, Negative-QTOFsplash10-000f-0900000000-7cbde53e99906af65d172021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 90V, Negative-QTOFsplash10-014i-9000000000-25f5214780d68203aaf12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 60V, Negative-QTOFsplash10-066r-9800000000-eecb9ad6fdb3abec5a962021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 75V, Negative-QTOFsplash10-014i-9200000000-35c51bbed4755dbbb2f22021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride LC-ESI-qTof , Positive-QTOFsplash10-0zfr-0930000000-3d9c93a011ece4c2884e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride LC-ESI-QQ , positive-QTOFsplash10-001i-0090000000-d84da076a3897e6fdb4a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride LC-ESI-QQ , positive-QTOFsplash10-0089-1790000000-9f966f1f1f39d074086a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride LC-ESI-QQ , positive-QTOFsplash10-00di-3900000000-9e3a3741c916f113d4562017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride LC-ESI-QQ , positive-QTOFsplash10-02tc-5900000000-f32cb47ea7e98516befc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride LC-ESI-QQ , positive-QTOFsplash10-02t9-8900000000-7f66a60319e15df262c22017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride LC-ESI-IT , positive-QTOFsplash10-00dr-1910000000-f028ae70e2d968afae252017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride , positive-QTOFsplash10-0089-0980000000-a00ea7cb3998c0a8cd772017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 30V, Positive-QTOFsplash10-01q0-5960000000-ffbb890a8a8d659129b12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 25V, Positive-QTOFsplash10-02t9-5900000000-7f3ff63c9ab555d0cfd92021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 20V, Positive-QTOFsplash10-044i-7900000000-12379016b37131145b452021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 15V, Positive-QTOFsplash10-001i-1290000000-dd38d68404461ed531482021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 10V, Positive-QTOFsplash10-02n9-3920000000-6bfb8123ba5daae925522021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 75V, Positive-QTOFsplash10-03xr-9000000000-54c7d3237de8badd153d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 90V, Positive-QTOFsplash10-02t9-9000000000-219c1c05f8f37dea8b562021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 15V, Positive-QTOFsplash10-044i-4900000000-14baec9aa483b452a4a72021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 80V, Positive-QTOFsplash10-02t9-5900000000-b9fe473afa394812646c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Amiloride 35V, Positive-QTOFsplash10-03xr-9600000000-0345871710c26e6e62012021-09-20HMDB team, MONAView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00594 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00594 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00594
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID15403
KEGG Compound IDC06821
BioCyc IDCPD-10324
BiGG IDNot Available
Wikipedia LinkAmiloride
METLIN IDNot Available
PubChem Compound16231
PDB IDAMR
ChEBI ID2639
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Amiloride-sensitive amine oxidase [copper-containing]
General function:
Involved in copper ion binding
Specific function:
Catalyzes the degradation of compounds such as putrescine, histamine, spermine, and spermidine, substances involved in allergic and immune responses, cell proliferation, tissue differentiation, tumor formation, and possibly apoptosis. Placental DAO is thought to play a role in the regulation of the female reproductive function.
Gene Name:
ABP1
Uniprot ID:
P19801
Molecular weight:
85377.1
References
  1. Padiglia A, Medda R, Lorrai A, Murgia B, Pedersen JZ, Finazzi Agro A, Floris G: Interaction of Pig Kidney and Lentil Seedling Copper-Containing Amine Oxidases with Guanidinium Compounds. J Enzyme Inhib. 1999 Nov;15(1):91-100. [PubMed:10938536 ]
  2. Padiglia A, Medda R, Lorrai A, Murgia B, Pedersen JZ, Agro AF, Floris G: Interaction of pig kidney and lentil seedling copper-containing amine oxidases with guanidinium compounds. J Enzyme Inhib. 2000;15(1):91-100. [PubMed:10850957 ]
Enzyme Details
2. Urokinase-type plasminogen activator
General function:
Involved in serine-type endopeptidase activity
Specific function:
Specifically cleave the zymogen plasminogen to form the active enzyme plasmin
Gene Name:
PLAU
Uniprot ID:
P00749
Molecular weight:
48507.1
References
  1. Vakili J, Standker L, Detheux M, Vassart G, Forssmann WG, Parmentier M: Urokinase plasminogen activator and plasmin efficiently convert hemofiltrate CC chemokine 1 into its active. J Immunol. 2001 Sep 15;167(6):3406-13. [PubMed:11544332 ]
  2. Jankun J, Skrzypczak-Jankun E: Binding site of amiloride to urokinase plasminogen activator depends on species. Int J Mol Med. 2001 Oct;8(4):365-71. [PubMed:11562773 ]
  3. Luikart S, Masri M, Wahl D, Hinkel T, Beck JM, Gyetko MR, Gupta P, Oegema T: Urokinase is required for the formation of mactinin, an alpha-actinin fragment that promotes monocyte/macrophage maturation. Biochim Biophys Acta. 2002 Aug 19;1591(1-3):99-107. [PubMed:12183060 ]
  4. Chen YX, O'Brien ER: Ethyl isopropyl amiloride inhibits smooth muscle cell proliferation and migration by inducing apoptosis and antagonizing urokinase plasminogen activator activity. Can J Physiol Pharmacol. 2003 Jul;81(7):730-9. [PubMed:12897821 ]
  5. Cejkova J, Cejka C, Zvarova J: Effects of inhibition of urokinase-type plasminogen activator (u-PA) by amiloride in the cornea and tear fluid of eyes irradiated with UVB. Acta Histochem. 2005;107(1):77-86. Epub 2005 Mar 4. [PubMed:15866288 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
Enzyme Details
3. Amiloride-sensitive sodium channel subunit alpha
General function:
Involved in ligand-gated sodium channel activity
Specific function:
Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:
SCNN1A
Uniprot ID:
P37088
Molecular weight:
75703.1
References
  1. Kelly O, Lin C, Ramkumar M, Saxena NC, Kleyman TR, Eaton DC: Characterization of an amiloride binding region in the alpha-subunit of ENaC. Am J Physiol Renal Physiol. 2003 Dec;285(6):F1279-90. Epub 2003 Aug 19. [PubMed:12928313 ]
  2. Ji HL, Benos DJ: Degenerin sites mediate proton activation of deltabetagamma-epithelial sodium channel. J Biol Chem. 2004 Jun 25;279(26):26939-47. Epub 2004 Apr 14. [PubMed:15084585 ]
  3. Otulakowski G, Duan W, Gandhi S, O'brodovich H: Steroid and oxygen effects on eIF4F complex, mTOR, and ENaC translation in fetal lung epithelia. Am J Respir Cell Mol Biol. 2007 Oct;37(4):457-66. Epub 2007 Jun 7. [PubMed:17556672 ]
  4. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
Enzyme Details
4. Sodium/hydrogen exchanger 1
General function:
Involved in solute:hydrogen antiporter activity
Specific function:
Involved in pH regulation to eliminate acids generated by active metabolism or to counter adverse environmental conditions. Major proton extruding system driven by the inward sodium ion chemical gradient. Plays an important role in signal transduction
Gene Name:
SLC9A1
Uniprot ID:
P19634
Molecular weight:
90762.1
References
  1. Lee MG, Ahn W, Choi JY, Luo X, Seo JT, Schultheis PJ, Shull GE, Kim KH, Muallem S: Na(+)-dependent transporters mediate HCO(3)(-) salvage across the luminal membrane of the main pancreatic duct. J Clin Invest. 2000 Jun;105(11):1651-8. [PubMed:10841524 ]
  2. Konstantinou-Tegou A, Kaloyianni M, Bourikas D, Koliakos G: The effect of leptin on Na(+)-H(+) antiport (NHE 1) activity of obese and normal subjects erythrocytes. Mol Cell Endocrinol. 2001 Oct 25;183(1-2):11-8. [PubMed:11604219 ]
  3. Serrani RE, Mujica G, Gioia IA, Corchs JL: Neonatal red blood cells: amiloride-insensitive Na+-H+ transport isoform would express Na+-Li+ exchange. Acta Physiol Pharmacol Bulg. 2000;25(3-4):71-4. [PubMed:11688549 ]
  4. Cuthbert AW, Supuran CT, MacVinish LJ: Bicarbonate-dependent chloride secretion in Calu-3 epithelia in response to 7,8-benzoquinoline. J Physiol. 2003 Aug 15;551(Pt 1):79-92. Epub 2003 Jul 18. [PubMed:12872009 ]
  5. Furukawa O, Bi LC, Guth PH, Engel E, Hirokawa M, Kaunitz JD: NHE3 inhibition activates duodenal bicarbonate secretion in the rat. Am J Physiol Gastrointest Liver Physiol. 2004 Jan;286(1):G102-9. Epub 2003 Jul 24. [PubMed:12881227 ]
Enzyme Details
5. Amiloride-sensitive sodium channel subunit gamma
General function:
Involved in ligand-gated sodium channel activity
Specific function:
Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:
SCNN1G
Uniprot ID:
P51170
Molecular weight:
74269.6
References
  1. Viemann M, Peter M, Lopez-Siguero JP, Simic-Schleicher G, Sippell WG: Evidence for genetic heterogeneity of pseudohypoaldosteronism type 1: identification of a novel mutation in the human mineralocorticoid receptor in one sporadic case and no mutations in two autosomal dominant kindreds. J Clin Endocrinol Metab. 2001 May;86(5):2056-9. [PubMed:11344206 ]
  2. Iwai N, Baba S, Mannami T, Katsuya T, Higaki J, Ogihara T, Ogata J: Association of sodium channel gamma-subunit promoter variant with blood pressure. Hypertension. 2001 Jul;38(1):86-9. [PubMed:11463765 ]
  3. Yamagata T, Yamagata Y, Nishimoto T, Nakanishi M, Nakanishi H, Minakata Y, Mune M, Yukawa S: The impact of phorbol ester on the regulation of amiloride-sensitive epithelial sodium channel in alveolar type ii epithelial cells. Exp Lung Res. 2002 Oct-Nov;28(7):543-62. [PubMed:12396248 ]
  4. Akcay A, Yavuz T, Semiz S, Bundak R, Demirdoven M: Pseudohypoaldosteronism type 1 and respiratory distress syndrome. J Pediatr Endocrinol Metab. 2002 Nov-Dec;15(9):1557-61. [PubMed:12503866 ]
  5. Ludwig M, Bidlingmaier F, Reissinger A: Pseudohypoaldosteronism type 1 and the genes encoding prostasin, alpha-spectrin, and Nedd4. Int J Mol Med. 2004 Dec;14(6):1101-4. [PubMed:15547682 ]
Enzyme Details
6. Amiloride-sensitive cation channel 1, neuronal
General function:
Involved in ligand-gated sodium channel activity
Specific function:
Cation channel with high affinity for sodium, which is gated by extracellular protons and inhibited by the diuretic amiloride. Also permeable for Li(+) and K(+). Generates a biphasic current with a fast inactivating and a slow sustained phase. Heteromeric channel assembly seems to modulate
Gene Name:
ACCN1
Uniprot ID:
Q16515
Molecular weight:
57708.5
References
  1. Berdiev BK, Xia J, McLean LA, Markert JM, Gillespie GY, Mapstone TB, Naren AP, Jovov B, Bubien JK, Ji HL, Fuller CM, Kirk KL, Benos DJ: Acid-sensing ion channels in malignant gliomas. J Biol Chem. 2003 Apr 25;278(17):15023-34. Epub 2003 Feb 12. [PubMed:12584187 ]
  2. Ugawa S, Yamamoto T, Ueda T, Ishida Y, Inagaki A, Nishigaki M, Shimada S: Amiloride-insensitive currents of the acid-sensing ion channel-2a (ASIC2a)/ASIC2b heteromeric sour-taste receptor channel. J Neurosci. 2003 May 1;23(9):3616-22. [PubMed:12736332 ]
  3. Ugawa S: Identification of sour-taste receptor genes. Anat Sci Int. 2003 Dec;78(4):205-10. [PubMed:14686475 ]
  4. Peng BG, Ahmad S, Chen S, Chen P, Price MP, Lin X: Acid-sensing ion channel 2 contributes a major component to acid-evoked excitatory responses in spiral ganglion neurons and plays a role in noise susceptibility of mice. J Neurosci. 2004 Nov 10;24(45):10167-75. [PubMed:15537887 ]
  5. Vila-Carriles WH, Kovacs GG, Jovov B, Zhou ZH, Pahwa AK, Colby G, Esimai O, Gillespie GY, Mapstone TB, Markert JM, Fuller CM, Bubien JK, Benos DJ: Surface expression of ASIC2 inhibits the amiloride-sensitive current and migration of glioma cells. J Biol Chem. 2006 Jul 14;281(28):19220-32. Epub 2006 May 16. [PubMed:16704974 ]
Enzyme Details
7. Amiloride-sensitive cation channel 2, neuronal
General function:
Involved in ligand-gated sodium channel activity
Specific function:
Cation channel with high affinity for sodium, which is gated by extracellular protons and inhibited by the diuretic amiloride. Also permeable for Ca(2+), Li(+) and K(+). Generates a biphasic current with a fast inactivating and a slow sustained phase. Mediates glutamate-independent Ca(2+) entry into neurons upon acidosis. This Ca(2+) overloading is toxic for cortical neurons and may be in part responsible for ischemic brain injury. Heteromeric channel assembly seems to modulate channel properties. Functions as a postsynaptic proton receptor that influences intracellular Ca(2+) concentration and calmodulin-dependent protein kinase II phosphorylation and thereby the density of dendritic spines. Modulates activity in the circuits underlying innate fear
Gene Name:
ACCN2
Uniprot ID:
P78348
Molecular weight:
59908.9
References
  1. Petruska JC, Napaporn J, Johnson RD, Cooper BY: Chemical responsiveness and histochemical phenotype of electrophysiologically classified cells of the adult rat dorsal root ganglion. Neuroscience. 2002;115(1):15-30. [PubMed:12401318 ]
  2. Jones NG, Slater R, Cadiou H, McNaughton P, McMahon SB: Acid-induced pain and its modulation in humans. J Neurosci. 2004 Dec 1;24(48):10974-9. [PubMed:15574747 ]
  3. Sugiura T, Dang K, Lamb K, Bielefeldt K, Gebhart GF: Acid-sensing properties in rat gastric sensory neurons from normal and ulcerated stomach. J Neurosci. 2005 Mar 9;25(10):2617-27. [PubMed:15758172 ]
  4. Wang W, Duan B, Xu H, Xu L, Xu TL: Calcium-permeable acid-sensing ion channel is a molecular target of the neurotoxic metal ion lead. J Biol Chem. 2006 Feb 3;281(5):2497-505. Epub 2005 Nov 29. [PubMed:16319075 ]
  5. Xiong ZG, Chu XP, Simon RP: Ca2+ -permeable acid-sensing ion channels and ischemic brain injury. J Membr Biol. 2006 Jan;209(1):59-68. Epub 2006 Apr 17. [PubMed:16685601 ]
Enzyme Details
8. Amiloride-sensitive sodium channel subunit beta
General function:
Involved in ligand-gated sodium channel activity
Specific function:
Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:
SCNN1B
Uniprot ID:
P51168
Molecular weight:
72658.5
References
  1. Lebowitz J, An B, Edinger RS, Zeidel ML, Johnson JP: Effect of altered Na+ entry on expression of apical and basolateral transport proteins in A6 epithelia. Am J Physiol Renal Physiol. 2003 Sep;285(3):F524-31. Epub 2003 May 13. [PubMed:12746257 ]
  2. Planes C, Leyvraz C, Uchida T, Angelova MA, Vuagniaux G, Hummler E, Matthay M, Clerici C, Rossier B: In vitro and in vivo regulation of transepithelial lung alveolar sodium transport by serine proteases. Am J Physiol Lung Cell Mol Physiol. 2005 Jun;288(6):L1099-109. Epub 2005 Jan 28. [PubMed:15681398 ]
  3. Yamagata T, Yamagata Y, Nishimoto T, Nakanishi M, Nakanishi H, Minakata Y, Mune M, Yukawa S: The impact of phorbol ester on the regulation of amiloride-sensitive epithelial sodium channel in alveolar type ii epithelial cells. Exp Lung Res. 2002 Oct-Nov;28(7):543-62. [PubMed:12396248 ]
  4. Brooks HL, Allred AJ, Beutler KT, Coffman TM, Knepper MA: Targeted proteomic profiling of renal Na(+) transporter and channel abundances in angiotensin II type 1a receptor knockout mice. Hypertension. 2002 Feb;39(2 Pt 2):470-3. [PubMed:11882592 ]
  5. Kamide K, Tanaka C, Takiuchi S, Miwa Y, Yoshii M, Horio T, Kawano Y, Miyata T: Six missense mutations of the epithelial sodium channel beta and gamma subunits in Japanese hypertensives. Hypertens Res. 2004 May;27(5):333-8. [PubMed:15198480 ]
Enzyme Details
9. Amiloride-sensitive sodium channel subunit delta
General function:
Involved in ligand-gated sodium channel activity
Specific function:
Sodium permeable non-voltage-sensitive ion channel inhibited by the diuretic amiloride. Mediates the electrodiffusion of the luminal sodium (and water, which follows osmotically) through the apical membrane of epithelial cells. Controls the reabsorption of sodium in kidney, colon, lung and sweat glands. Also plays a role in taste perception
Gene Name:
SCNN1D
Uniprot ID:
P51172
Molecular weight:
70214.2
References
  1. Yamamura H, Ugawa S, Ueda T, Nagao M, Shimada S: Protons activate the delta-subunit of the epithelial Na+ channel in humans. J Biol Chem. 2004 Mar 26;279(13):12529-34. Epub 2004 Jan 15. [PubMed:14726523 ]
  2. Ji HL, Bishop LR, Anderson SJ, Fuller CM, Benos DJ: The role of Pre-H2 domains of alpha- and delta-epithelial Na+ channels in ion permeation, conductance, and amiloride sensitivity. J Biol Chem. 2004 Feb 27;279(9):8428-40. Epub 2003 Dec 2. [PubMed:14660613 ]
  3. Ji HL, Su XF, Kedar S, Li J, Barbry P, Smith PR, Matalon S, Benos DJ: Delta-subunit confers novel biophysical features to alpha beta gamma-human epithelial sodium channel (ENaC) via a physical interaction. J Biol Chem. 2006 Mar 24;281(12):8233-41. Epub 2006 Jan 19. [PubMed:16423824 ]
  4. Yamamura H, Ugawa S, Ueda T, Nagao M, Shimada S: Icilin activates the delta-subunit of the human epithelial Na+ channel. Mol Pharmacol. 2005 Oct;68(4):1142-7. Epub 2005 Jul 20. [PubMed:16033954 ]
  5. Yamamura H, Ugawa S, Ueda T, Shimada S: Evans blue is a specific antagonist of the human epithelial Na+ channel delta-subunit. J Pharmacol Exp Ther. 2005 Nov;315(2):965-9. Epub 2005 Aug 17. [PubMed:16107516 ]

Transporters

Enzyme Details
1. Solute carrier family 22 member 4
General function:
Involved in ion transmembrane transporter activity
Specific function:
Sodium-ion dependent, low affinity carnitine transporter. Probably transports one sodium ion with one molecule of carnitine. Also transports organic cations such as tetraethylammonium (TEA) without the involvement of sodium. Relative uptake activity ratio of carnitine to TEA is 1.78. A key substrate of this transporter seems to be ergothioneine (ET)
Gene Name:
SLC22A4
Uniprot ID:
Q9H015
Molecular weight:
62154.5
References
  1. Wu X, George RL, Huang W, Wang H, Conway SJ, Leibach FH, Ganapathy V: Structural and functional characteristics and tissue distribution pattern of rat OCTN1, an organic cation transporter, cloned from placenta. Biochim Biophys Acta. 2000 Jun 1;1466(1-2):315-27. [PubMed:10825452 ]
Enzyme Details
2. Solute carrier family 22 member 1
General function:
Involved in ion transmembrane transporter activity
Specific function:
Translocates a broad array of organic cations with various structures and molecular weights including the model compounds 1-methyl-4-phenylpyridinium (MPP), tetraethylammonium (TEA), N-1-methylnicotinamide (NMN), 4-(4-(dimethylamino)styryl)- N-methylpyridinium (ASP), the endogenous compounds choline, guanidine, histamine, epinephrine, adrenaline, noradrenaline and dopamine, and the drugs quinine, and metformin. The transport of organic cations is inhibited by a broad array of compounds like tetramethylammonium (TMA), cocaine, lidocaine, NMDA receptor antagonists, atropine, prazosin, cimetidine, TEA and NMN, guanidine, cimetidine, choline, procainamide, quinine, tetrabutylammonium, and tetrapentylammonium. Translocates organic cations in an electrogenic and pH-independent manner. Translocates organic cations across the plasma membrane in both directions. Transports the polyamines spermine and spermidine. Transports pramipexole across the basolateral membrane of the proximal tubular epithelial cells. The choline transport is activated by MMTS. Regulated by various intracellular signaling pathways including inhibition by protein kinase A activation, and endogenously activation by the calmodulin complex, the calmodulin- dependent kinase II and LCK tyrosine kinase
Gene Name:
SLC22A1
Uniprot ID:
O15245
Molecular weight:
61187.4
References
  1. Urakami Y, Okuda M, Masuda S, Akazawa M, Saito H, Inui K: Distinct characteristics of organic cation transporters, OCT1 and OCT2, in the basolateral membrane of renal tubules. Pharm Res. 2001 Nov;18(11):1528-34. [PubMed:11758759 ]
Enzyme Details
3. Solute carrier family 22 member 2
General function:
Involved in ion transmembrane transporter activity
Specific function:
Mediates tubular uptake of organic compounds from circulation. Mediates the influx of agmatine, dopamine, noradrenaline (norepinephrine), serotonin, choline, famotidine, ranitidine, histamin, creatinine, amantadine, memantine, acriflavine, 4-[4-(dimethylamino)-styryl]-N-methylpyridinium ASP, amiloride, metformin, N-1-methylnicotinamide (NMN), tetraethylammonium (TEA), 1-methyl-4-phenylpyridinium (MPP), cimetidine, cisplatin and oxaliplatin. Cisplatin may develop a nephrotoxic action. Transport of creatinine is inhibited by fluoroquinolones such as DX-619 and LVFX. This transporter is a major determinant of the anticancer activity of oxaliplatin and may contribute to antitumor specificity
Gene Name:
SLC22A2
Uniprot ID:
O15244
Molecular weight:
62564.0
References
  1. Urakami Y, Okuda M, Masuda S, Akazawa M, Saito H, Inui K: Distinct characteristics of organic cation transporters, OCT1 and OCT2, in the basolateral membrane of renal tubules. Pharm Res. 2001 Nov;18(11):1528-34. [PubMed:11758759 ]

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters