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CHEBI:31686 - Idarubicin hydrochloride

ChEBI IDCHEBI:31686
ChEBI NameIdarubicin hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC26H27NO9.HCl
Net Charge0
Average Mass533.961
Monoisotopic Mass533.14526
SMILESCC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O.Cl
InChIInChI=1S/C26H27NO9.ClH/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;1H/t10-,15-,16-,17-,21+,26-;/m0./s1
InChIKeyJVHPTYWUBOQMBP-RVFAQHLVSA-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.
ChEBI Ontology
Outgoing Relation(s)
Idarubicin hydrochloride (CHEBI:31686) is a anthracycline (CHEBI:48120)
Synonym  Source
Idarubicin hydrochlorideKEGG COMPOUND
Manual XrefsDatabases
D01747KEGG DRUG
Registry NumbersSources
CAS:57852-57-0KEGG COMPOUND