Adriamycin

PubChem Notes:

Doxorubicin Antineoplastic antibiotic obtained from Streptomyces peucetius. It is a hydroxy derivative of DAUNORUBICIN.

Molecular Formula: C₂₇H₃₀ClNO₁₁

InChI: InChI=1/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/t10u,13?,15-,17?,22?,27-;/m0./s1/fC27H30NO11.Cl/h28H;1h/q+1;-1

InChIKey: InChIKey=MWWSFMDVAYGXBV-ZXBBVWQGDP
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)[NH3+])O.[Cl-]

Names:
    Adriamycin
    NSC123127
    [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]azanium chloride

Registries:
PubChem CID 5458238
PubChem ID 8140089