EPIRUBICIN HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 22966TX7J5
Parent Compound: EPIRUBICIN

Structure

InChI Key MWWSFMDVAYGXBV-FGBSZODSSA-N
Smiles COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1.Cl
InChI
InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22-,27-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H30ClNO11
Molecular Weight 579.99
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 206.07
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR DailyMed

Cross References

Resources Reference
ChEMBL CHEMBL1200981
FDA SRS 22966TX7J5
PubChem 65348
SureChEMBL SCHEMBL3165
ZINC ZINC13115922
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