N'-[(1E)-1-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene]octanehydrazide
[CAS# 80041-11-8]

Identification

• Name: N'-[(1E)-1-{4-[(3-Amino-2,3,6-trideoxyhexopyranosyl)oxy]-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-2-tetracenyl}-2-hydroxyethylidene]octanehydrazide
• Synonyms: Adriamycin octanoylhydrazone; Doxorubicin octanoylhydrazone; N-[[1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]-2-hydroxyethylidene]amino]octanamide
• Molecular Formula: C₃₅H₄₅N₃O₁₁
• Molecular Weight: 683.75
• CAS Registry Number: 80041-11-8
• SMILES: O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=N\NC(=O)CCCCCCC)\CO)CC5OC4OC(C(O)C(N)C4)C
• InChI: 1S/C35H45N3O11/c1-4-5-6-7-8-12-24(40)38-37-23(16-39)35(46)14-19-27(22(15-35)49-25-13-20(36)30(41)17(2)48-25)34(45)29-28(32(19)43)31(42)18-10-9-11-21(47-3)26(18)33(29)44/h9-11,17,20,22,25,30,39,41,43,45-46H,4-8,12-16,36H2,1-3H3,(H,38,40)/b37-23+
• InChIKey: YFNRFXHHYCNVGO-GUBAARJWSA-N

Properties

• Density: 1.491g/cm³ (Cal.)