idarubicin

Molecular Formula: C26H27NO9


InChI: InChI=1/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

InChIKey: InChIKey=XDXDZDZNSLXDNA-TZNDIEGXBV
SMILES: C[[email protected]@H]1O[[email protected]](C[[email protected]](N)[[email protected]@H]1O)O[[email protected]]2C[[email protected]@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(C)=O

CAS number 58957-92-9

Names:
    idarubicin
    KBioSS_002388
    (1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-
    (7S,9R)-9-acetyl-7-[(2S,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-oxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
    4-Demethoxydaunomycin
    4-Demethoxydaunorubicin
    5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-

Registries:
    PubChem CID 42890
    Beilstein =3641270
    CAS 58957-92-9 (from NIST)
    ChEBI 35758
    PubChem ID 11378086