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CHEBI:232543 - epirubicin hydrochloride

ChEBI IDCHEBI:232543
ChEBI Nameepirubicin hydrochloride
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SubmitterFlyBase
DownloadsMolfile
FormulaC27H29NO11.HCl
Net Charge0
Average Mass579.986
Monoisotopic Mass579.15074
SMILESCl.[H][C@]1(O[C@@]2([H])C[C@](O)(C(=O)CO)Cc3c(O)c4c(c(O)c32)C(=O)c2c(OC)cccc2C4=O)C[C@]([H])(N)[C@@]([H])(O)[C@]([H])(C)O1
InChIInChI=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
InChIKeyMWWSFMDVAYGXBV-FGBSZODSSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
epirubicin hydrochloride (CHEBI:232543) has role antineoplastic agent (CHEBI:35610)
epirubicin hydrochloride (CHEBI:232543) is a anthracycline (CHEBI:48120)
Manual XrefsDatabases
D02214KEGG DRUG
Registry NumbersSources
CAS:56390-09-1SUBMITTER