N-Trifluoroacetyldoxorubicin

Molecular Formula: C29H28F3NO12


InChI: InChI=1/C29H28F3NO12/c1-10-22(36)13(33-27(41)29(30,31)32)6-17(44-10)45-15-8-28(42,16(35)9-34)7-12-19(15)26(40)21-20(24(12)38)23(37)11-4-3-5-14(43-2)18(11)25(21)39/h3-5,10,13,15,17,22,34,36,38,40,42H,6-9H2,1-2H3,(H,33,41)/t10-,13-,15-,17-,22+,28-/m0/s1/f/h33H

InChIKey: InChIKey=RQIOYWADAKTIJC-JEWYWLAIDQ
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)C(F)(F)F)O

Names:
    AD 41
    BRN 1417667
    L-lyxo-Hexopyranoside, 3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-, (1S,3S)- alpha-
    L-lyxo-Hexopyranoside, 3-glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl-2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-, (1S,3S)- alpha- (8CI)
    NSC 283464
    N-Trifluoroacetyladriamycin
    N-Trifluoroacetyldoxorubicin
    2,2,2-trifluoro-N-[(2S,3S,4S,6S)-3-hydroxy-2-methyl-6-[[(1S,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]acetamide
    26295-56-7
    3-Glycoloyl-1,2,3,4,6,11-hexahydro-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1-naphthacenyl 2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-L-lyxo-Hexopyranoside (1S,3S)- alpha-
    5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-((2,3,6-trideoxy-3-(trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy)-6,8,11-trihydroxy-, (8S-cis)-

Registries:
    PubChem CID 73551
    PubChem ID 215785