Hmdb loader
Survey
You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:51 UTC
Update Date2022-03-07 02:51:56 UTC
HMDB IDHMDB0015308
Secondary Accession Numbers
  • HMDB15308
Metabolite Identification
Common NameIdarubicin
DescriptionIdarubicin, also known as zavedos or IMI30, belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Similar to other anthracyclines, it also induces histone eviction from chromatin. Diarrhea, stomach cramps, nausea and vomiting are common among patients treated with idarubicin. It is currently combined with cytosine arabinoside as a first line treatment of acute myeloid leukemia. Idarubicin is a drug which is used for the treatment of acute myeloid leukemia (aml) in adults. this includes french-american-british (fab) classifications m1 through m7. Idarubicin or 4-demethoxydaunorubicin is an anthracycline antileukemic drug. Idarubicin is a very strong basic compound (based on its pKa). It is an analog of daunorubicin, but the absence of a methoxy group increases its fat solubility and cellular uptake. It is distributed under the trade names Zavedos (UK) and Idamycin (USA). It inserts itself into DNA and prevents DNA unwinding by interfering with the enzyme topoisomerase II. It is used for treatment of acute lymphoblastic leukemia and Chronic myelogenous leukemia in blast crisis.
Structure
Data?1582753281
Synonyms
ValueSource
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosideChEBI
4-DemethoxydaunomycinChEBI
4-DemethoxydaunorubicinChEBI
ZavedosKegg
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosideGenerator
(1S,3S)-3-Acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-α-L-lyxo-hexopyranosideGenerator
4 DesmethoxydaunorubicinHMDB
IMI30HMDB
4-DesmethoxydaunorubicinHMDB
Hydrochloride, idarubicinHMDB
4 DemethoxydaunorubicinHMDB
IMI 30HMDB
IMI-30HMDB
Idarubicin hydrochlorideHMDB
Chemical FormulaC26H27NO9
Average Molecular Weight497.4939
Monoisotopic Molecular Weight497.168581467
IUPAC Name(7S,9S)-9-acetyl-7-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
Traditional Nameidarubicin
CAS Registry Number58957-92-9
SMILES
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O
InChI Identifier
InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1
InChI KeyXDXDZDZNSLXDNA-TZNDIEGXSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassDiphenylmethanes
Direct ParentDiphenylmethanes
Alternative Parents
Substituents
  • Diphenylmethane
  • Aralkylamine
  • N-alkylpiperazine
  • N-methylpiperazine
  • 1,4-diazinane
  • Piperazine
  • Tertiary amine
  • Tertiary aliphatic amine
  • Azacycle
  • Organoheterocyclic compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.77 g/LNot Available
LogP0.2Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.77 g/LALOGPS
logP1.69ALOGPS
logP1.9ChemAxon
logS-2.8ALOGPS
pKa (Strongest Acidic)9.55ChemAxon
pKa (Strongest Basic)8.95ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area176.61 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity126.43 m³·mol⁻¹ChemAxon
Polarizability50.33 ųChemAxon
Number of Rings5ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+213.6931661259
DarkChem[M-H]-205.4931661259
DeepCCS[M+H]+210.73830932474
DeepCCS[M-H]-208.91330932474
DeepCCS[M-2H]-242.42930932474
DeepCCS[M+Na]+216.34430932474
AllCCS[M+H]+215.432859911
AllCCS[M+H-H2O]+213.532859911
AllCCS[M+NH4]+217.132859911
AllCCS[M+Na]+217.632859911
AllCCS[M-H]-214.232859911
AllCCS[M+Na-2H]-215.432859911
AllCCS[M+HCOO]-216.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
IdarubicinC[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O4535.8Standard polar33892256
IdarubicinC[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O3946.6Standard non polar33892256
IdarubicinC[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(CC2=C1C(O)=C1C(=O)C3=CC=CC=C3C(=O)C1=C2O)C(C)=O4394.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Idarubicin,1TMS,isomer #1CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14062.9Semi standard non polar33892256
Idarubicin,1TMS,isomer #2CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14081.9Semi standard non polar33892256
Idarubicin,1TMS,isomer #3CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14074.2Semi standard non polar33892256
Idarubicin,1TMS,isomer #4CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14073.2Semi standard non polar33892256
Idarubicin,1TMS,isomer #5C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14012.4Semi standard non polar33892256
Idarubicin,1TMS,isomer #6CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14067.9Semi standard non polar33892256
Idarubicin,2TMS,isomer #1CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13994.8Semi standard non polar33892256
Idarubicin,2TMS,isomer #10CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14025.1Semi standard non polar33892256
Idarubicin,2TMS,isomer #11C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13945.2Semi standard non polar33892256
Idarubicin,2TMS,isomer #12CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13999.6Semi standard non polar33892256
Idarubicin,2TMS,isomer #13C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13949.1Semi standard non polar33892256
Idarubicin,2TMS,isomer #14CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13990.1Semi standard non polar33892256
Idarubicin,2TMS,isomer #15C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13923.2Semi standard non polar33892256
Idarubicin,2TMS,isomer #16CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13999.2Semi standard non polar33892256
Idarubicin,2TMS,isomer #2CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13993.1Semi standard non polar33892256
Idarubicin,2TMS,isomer #3CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14005.0Semi standard non polar33892256
Idarubicin,2TMS,isomer #4C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13936.4Semi standard non polar33892256
Idarubicin,2TMS,isomer #5CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13985.0Semi standard non polar33892256
Idarubicin,2TMS,isomer #6CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14006.3Semi standard non polar33892256
Idarubicin,2TMS,isomer #7CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14008.7Semi standard non polar33892256
Idarubicin,2TMS,isomer #8C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13936.9Semi standard non polar33892256
Idarubicin,2TMS,isomer #9CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13972.0Semi standard non polar33892256
Idarubicin,3TMS,isomer #1CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13949.7Semi standard non polar33892256
Idarubicin,3TMS,isomer #10C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13885.8Semi standard non polar33892256
Idarubicin,3TMS,isomer #11CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13966.8Semi standard non polar33892256
Idarubicin,3TMS,isomer #12CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13972.8Semi standard non polar33892256
Idarubicin,3TMS,isomer #13C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13895.4Semi standard non polar33892256
Idarubicin,3TMS,isomer #14CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13940.3Semi standard non polar33892256
Idarubicin,3TMS,isomer #15C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13888.9Semi standard non polar33892256
Idarubicin,3TMS,isomer #16CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13946.7Semi standard non polar33892256
Idarubicin,3TMS,isomer #17C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13882.2Semi standard non polar33892256
Idarubicin,3TMS,isomer #18CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13963.2Semi standard non polar33892256
Idarubicin,3TMS,isomer #19C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13893.4Semi standard non polar33892256
Idarubicin,3TMS,isomer #2CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13956.8Semi standard non polar33892256
Idarubicin,3TMS,isomer #20CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13960.5Semi standard non polar33892256
Idarubicin,3TMS,isomer #21C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13888.2Semi standard non polar33892256
Idarubicin,3TMS,isomer #22CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13977.2Semi standard non polar33892256
Idarubicin,3TMS,isomer #23C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13892.9Semi standard non polar33892256
Idarubicin,3TMS,isomer #24CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13980.1Semi standard non polar33892256
Idarubicin,3TMS,isomer #25C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13960.3Semi standard non polar33892256
Idarubicin,3TMS,isomer #3C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13883.9Semi standard non polar33892256
Idarubicin,3TMS,isomer #4CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13926.6Semi standard non polar33892256
Idarubicin,3TMS,isomer #5CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13946.6Semi standard non polar33892256
Idarubicin,3TMS,isomer #6C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13884.5Semi standard non polar33892256
Idarubicin,3TMS,isomer #7CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13928.6Semi standard non polar33892256
Idarubicin,3TMS,isomer #8C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13882.8Semi standard non polar33892256
Idarubicin,3TMS,isomer #9CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13936.7Semi standard non polar33892256
Idarubicin,4TMS,isomer #1CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13928.2Semi standard non polar33892256
Idarubicin,4TMS,isomer #10C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13868.0Semi standard non polar33892256
Idarubicin,4TMS,isomer #11CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13987.9Semi standard non polar33892256
Idarubicin,4TMS,isomer #12C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13876.4Semi standard non polar33892256
Idarubicin,4TMS,isomer #13CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13989.8Semi standard non polar33892256
Idarubicin,4TMS,isomer #14C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13956.2Semi standard non polar33892256
Idarubicin,4TMS,isomer #15C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C13860.8Semi standard non polar33892256
Idarubicin,4TMS,isomer #16CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13947.5Semi standard non polar33892256
Idarubicin,4TMS,isomer #17C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13876.9Semi standard non polar33892256
Idarubicin,4TMS,isomer #18CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13987.9Semi standard non polar33892256
Idarubicin,4TMS,isomer #19C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13882.7Semi standard non polar33892256
Idarubicin,4TMS,isomer #2C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13866.8Semi standard non polar33892256
Idarubicin,4TMS,isomer #20CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13990.7Semi standard non polar33892256
Idarubicin,4TMS,isomer #21C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13953.8Semi standard non polar33892256
Idarubicin,4TMS,isomer #22C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13881.0Semi standard non polar33892256
Idarubicin,4TMS,isomer #23CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13985.6Semi standard non polar33892256
Idarubicin,4TMS,isomer #24C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13955.7Semi standard non polar33892256
Idarubicin,4TMS,isomer #25C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13960.3Semi standard non polar33892256
Idarubicin,4TMS,isomer #3CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13914.0Semi standard non polar33892256
Idarubicin,4TMS,isomer #4C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13865.6Semi standard non polar33892256
Idarubicin,4TMS,isomer #5CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13920.1Semi standard non polar33892256
Idarubicin,4TMS,isomer #6C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13862.3Semi standard non polar33892256
Idarubicin,4TMS,isomer #7CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13979.5Semi standard non polar33892256
Idarubicin,4TMS,isomer #8C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13848.3Semi standard non polar33892256
Idarubicin,4TMS,isomer #9CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13930.9Semi standard non polar33892256
Idarubicin,5TMS,isomer #1C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13862.0Semi standard non polar33892256
Idarubicin,5TMS,isomer #1C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14209.8Standard non polar33892256
Idarubicin,5TMS,isomer #1C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C)[C@H](C)O2)C15006.6Standard polar33892256
Idarubicin,5TMS,isomer #10C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13974.1Semi standard non polar33892256
Idarubicin,5TMS,isomer #10C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14308.2Standard non polar33892256
Idarubicin,5TMS,isomer #10C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14737.4Standard polar33892256
Idarubicin,5TMS,isomer #11C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13971.3Semi standard non polar33892256
Idarubicin,5TMS,isomer #11C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14337.7Standard non polar33892256
Idarubicin,5TMS,isomer #11C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14773.7Standard polar33892256
Idarubicin,5TMS,isomer #12C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13898.0Semi standard non polar33892256
Idarubicin,5TMS,isomer #12C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14287.5Standard non polar33892256
Idarubicin,5TMS,isomer #12C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14911.9Standard polar33892256
Idarubicin,5TMS,isomer #13CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14010.0Semi standard non polar33892256
Idarubicin,5TMS,isomer #13CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14420.0Standard non polar33892256
Idarubicin,5TMS,isomer #13CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14820.3Standard polar33892256
Idarubicin,5TMS,isomer #14C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13978.5Semi standard non polar33892256
Idarubicin,5TMS,isomer #14C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14348.2Standard non polar33892256
Idarubicin,5TMS,isomer #14C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14942.8Standard polar33892256
Idarubicin,5TMS,isomer #15C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13977.8Semi standard non polar33892256
Idarubicin,5TMS,isomer #15C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14384.3Standard non polar33892256
Idarubicin,5TMS,isomer #15C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14984.8Standard polar33892256
Idarubicin,5TMS,isomer #16C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C13950.1Semi standard non polar33892256
Idarubicin,5TMS,isomer #16C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14300.3Standard non polar33892256
Idarubicin,5TMS,isomer #16C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O)[C@H](C)O2)C14926.0Standard polar33892256
Idarubicin,5TMS,isomer #2CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13952.9Semi standard non polar33892256
Idarubicin,5TMS,isomer #2CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14380.0Standard non polar33892256
Idarubicin,5TMS,isomer #2CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14574.5Standard polar33892256
Idarubicin,5TMS,isomer #3C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13874.6Semi standard non polar33892256
Idarubicin,5TMS,isomer #3C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14297.7Standard non polar33892256
Idarubicin,5TMS,isomer #3C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14683.5Standard polar33892256
Idarubicin,5TMS,isomer #4CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14019.8Semi standard non polar33892256
Idarubicin,5TMS,isomer #4CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14419.3Standard non polar33892256
Idarubicin,5TMS,isomer #4CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14619.6Standard polar33892256
Idarubicin,5TMS,isomer #5C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13885.1Semi standard non polar33892256
Idarubicin,5TMS,isomer #5C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14344.7Standard non polar33892256
Idarubicin,5TMS,isomer #5C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14730.6Standard polar33892256
Idarubicin,5TMS,isomer #6CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14021.1Semi standard non polar33892256
Idarubicin,5TMS,isomer #6CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14462.2Standard non polar33892256
Idarubicin,5TMS,isomer #6CC(=O)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14667.6Standard polar33892256
Idarubicin,5TMS,isomer #7C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13973.7Semi standard non polar33892256
Idarubicin,5TMS,isomer #7C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14384.7Standard non polar33892256
Idarubicin,5TMS,isomer #7C=C(O[Si](C)(C)C)[C@]1(O[Si](C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14789.9Standard polar33892256
Idarubicin,5TMS,isomer #8C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C13877.0Semi standard non polar33892256
Idarubicin,5TMS,isomer #8C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14258.2Standard non polar33892256
Idarubicin,5TMS,isomer #8C=C(O[Si](C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14677.5Standard polar33892256
Idarubicin,5TMS,isomer #9CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14001.9Semi standard non polar33892256
Idarubicin,5TMS,isomer #9CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14382.5Standard non polar33892256
Idarubicin,5TMS,isomer #9CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C)[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C)O2)C14611.9Standard polar33892256
Idarubicin,1TBDMS,isomer #1CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14278.1Semi standard non polar33892256
Idarubicin,1TBDMS,isomer #2CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14291.1Semi standard non polar33892256
Idarubicin,1TBDMS,isomer #3CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14289.0Semi standard non polar33892256
Idarubicin,1TBDMS,isomer #4CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14287.0Semi standard non polar33892256
Idarubicin,1TBDMS,isomer #5C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14232.8Semi standard non polar33892256
Idarubicin,1TBDMS,isomer #6CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14296.4Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #1CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14410.9Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #10CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14409.5Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #11C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14360.3Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #12CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14413.8Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #13C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14378.0Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #14CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14416.9Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #15C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14365.0Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #16CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14467.4Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #2CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14398.2Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #3CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14398.8Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #4C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14378.9Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #5CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14405.3Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #6CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14416.0Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #7CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14415.9Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #8C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14369.9Semi standard non polar33892256
Idarubicin,2TBDMS,isomer #9CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14420.8Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #1CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14529.2Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #10C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14479.4Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #11CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([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](C)O2)C14625.2Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #12CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14529.6Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #13C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14485.5Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #14CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14547.9Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #15C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14479.1Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #16CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14540.7Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #17C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14480.0Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #18CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14632.8Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #19C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C14439.1Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #2CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14528.0Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #20CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14511.4Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #21C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14453.5Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #22CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14638.5Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #23C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14468.5Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #24CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14641.6Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #25C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](C)O2)C14610.8Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #3C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14511.3Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #4CC(=O)[C@]1(O[Si](C)(C)C(C)(C)C)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14538.9Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #5CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14489.7Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #6C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14477.1Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #7CC(=O)[C@]1(O)CC2=C(O[Si](C)(C)C(C)(C)C)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14505.3Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #8C=C(O[Si](C)(C)C(C)(C)C)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14463.8Semi standard non polar33892256
Idarubicin,3TBDMS,isomer #9CC(=O)[C@]1(O)CC2=C(O)C3=C(C(=O)C4=CC=CC=C4C3=O)C(O[Si](C)(C)C(C)(C)C)=C2[C@@H](O[C@H]2C[C@H](N[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)O2)C14497.7Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Idarubicin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9001300000-2de3fa2c7773861d551e2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Idarubicin GC-MS (2 TMS) - 70eV, Positivesplash10-004i-9201235000-1667e96cf86211584cde2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Idarubicin 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 - Idarubicin , positive-QTOFsplash10-000x-0393000000-ddc13e189dad3ac7e41a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Idarubicin 35V, Positive-QTOFsplash10-000x-1593000000-69c216582ee995c4994a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Idarubicin 35V, Negative-QTOFsplash10-0002-0009200000-bc576e831293830ef01e2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 10V, Positive-QTOFsplash10-0fsj-0007900000-f98135a681be27de52fd2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 20V, Positive-QTOFsplash10-0uxr-0329100000-be91546e966302a561392016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 40V, Positive-QTOFsplash10-0udi-9257000000-7462490f63ce54df520d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 10V, Negative-QTOFsplash10-0002-1104900000-b9f2288cd69935e73d742016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 20V, Negative-QTOFsplash10-016s-2109400000-e516d0132a62935de3792016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 40V, Negative-QTOFsplash10-014i-3119000000-f69c0c8721bcd3c2b66e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 10V, Positive-QTOFsplash10-001i-0008900000-85b3a0d465f7ec214bae2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 20V, Positive-QTOFsplash10-001r-0409600000-cd3feeae87163d339d812021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 40V, Positive-QTOFsplash10-08gr-9632700000-6a3e9d575e1fa19c841d2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 10V, Negative-QTOFsplash10-0002-0004900000-d3fce72bd7a4bc2619052021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 20V, Negative-QTOFsplash10-0a4i-0009000000-fd6d8e90c9f112c7cdd12021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Idarubicin 40V, Negative-QTOFsplash10-00ls-1009100000-00fb149725f7857256562021-10-11Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01177 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01177 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01177
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID39117
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkIdarubicin
METLIN IDNot Available
PubChem Compound42890
PDB IDNot Available
ChEBI ID42068
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

Enzymes

General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.
Gene Name:
CYP2C9
Uniprot ID:
P11712
Molecular weight:
55627.365
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
General function:
Involved in monooxygenase activity
Specific function:
Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:
CYP2D6
Uniprot ID:
P10635
Molecular weight:
55768.94
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
General function:
Involved in sequence-specific DNA binding transcription factor activity
Specific function:
Control of topological states of DNA by transient breakage and subsequent rejoining of DNA strands. Topoisomerase II makes double-strand breaks
Gene Name:
TOP2A
Uniprot ID:
P11388
Molecular weight:
174383.9
References
  1. Willmore E, Errington F, Tilby MJ, Austin CA: Formation and longevity of idarubicin-induced DNA topoisomerase II cleavable complexes in K562 human leukaemia cells. Biochem Pharmacol. 2002 May 15;63(10):1807-15. [PubMed:12034365 ]
  2. Zhou R, Wang Y, Gruber A, Larsson R, Castanos-Velez E, Liliemark E: Topoisomerase II-mediated alterations of K562 drug resistant sublines. Med Oncol. 1999 Sep;16(3):191-8. [PubMed:10523799 ]
  3. De Renzo A, Santoro LF, Notaro R, Pane F, Buonaiuto MR, Luciano L, Rotoli B: Acute promyelocytic leukemia after treatment for non-Hodgkin's lymphoma with drugs targeting topoisomerase II. Am J Hematol. 1999 Apr;60(4):300-4. [PubMed:10203104 ]
  4. Gonzalez-Cid M, Fundia AF, Cuello MT, Larripa I: Correlation between chromosome damage and apoptosis induced by fludarabine and idarubicin in normal human lymphocytes. Toxicology. 2002 Feb 28;171(2-3):215-22. [PubMed:11836027 ]
  5. Bigioni M, Zunino F, Capranico G: Base mutation analysis of topoisomerase II-idarubicin-DNA ternary complex formation. Evidence for enzyme subunit cooperativity in DNA cleavage. Nucleic Acids Res. 1994 Jun 25;22(12):2274-81. [PubMed:8036155 ]
  6. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]

Transporters

General function:
Involved in ATP binding
Specific function:
Mediates export of organic anions and drugs from the cytoplasm. Mediates ATP-dependent transport of glutathione and glutathione conjugates, leukotriene C4, estradiol-17-beta-o- glucuronide, methotrexate, antiviral drugs and other xenobiotics. Confers resistance to anticancer drugs. Hydrolyzes ATP with low efficiency
Gene Name:
ABCC1
Uniprot ID:
P33527
Molecular weight:
171589.5
References
  1. Heijn M, Hooijberg JH, Scheffer GL, Szabo G, Westerhoff HV, Lankelma J: Anthracyclines modulate multidrug resistance protein (MRP) mediated organic anion transport. Biochim Biophys Acta. 1997 May 22;1326(1):12-22. [PubMed:9188796 ]