small molecule

Epirubicin

Synonyms/Brands: Epirubicin, Epirubicine, Epirubicina, Epirubicinum, Pidorubicina, Pidorubicine, Pidorubicinum, Epiadriamycin, 4'-Epiadriamycin, epirubicin hydrochloride for i

An anthracycline which is the 4'-epi-isomer of doxorubicin. The compound exerts its antitumor effects by interference with the synthesis and function of DNA.

Molecular Formula: C₂₇H₂₉NO₁₁

Molecular Weight:: 543.5193

CAS:: 56420-45-2

ATC:: L01DB03

InChiKey:: AOJJSUZBOXZQNB-VTZDEGQISA-N

InChi:: InChI=1S/C27H29NO11/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/t10-,13-,15-,17-,22-,27-/m0/s1

SMILES:: COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@](O)(C[C@@H]3O[C@H]3C[C@H](N)[C@@H](O)[C@H](C)O3)C(=O)CO)C(O)=C1C2=O

IUPAC Name:: (8S,10S)-10-{[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

DrugBank ChEMBL PubChem ChemSpider ChEBI

Download Curated Data for this Chemical

437

Interactors 2
Chemical Interactions 5
Network

Chemical Summary

Epirubicin