Identification Common Name Idarubicin Class Small Molecule Description An orally administered anthracycline antineoplastic. The compound has shown activity against breast cancer, lymphomas and leukemias, together with the potential for reduced cardiac toxicity.
Read more Contaminant Sources HMDB Contaminants - Urine
STOFF IDENT Compounds Contaminant Type Not Available Chemical Structure Synonyms Value Source (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-hexopyranoside ChEBI 4-Demethoxydaunomycin ChEBI 4-Demethoxydaunorubicin ChEBI Zavedos Kegg (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-hexopyranoside Generator (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-hexopyranoside Generator 4 Desmethoxydaunorubicin HMDB IMI30 HMDB 4-Desmethoxydaunorubicin HMDB Hydrochloride, idarubicin HMDB 4 Demethoxydaunorubicin HMDB IMI 30 HMDB IMI-30 HMDB Idarubicin hydrochloride HMDB
Chemical Formula C26 H27 NO9 Average Molecular Mass 497.494 g/mol Monoisotopic Mass 497.169 g/mol CAS Registry Number 58957-92-9 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 Name idarubicin 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 Key XDXDZDZNSLXDNA-TZNDIEGXSA-N 
