N-Octanoyldaunorubicin
[CAS# 62327-70-2]

Identification

• Name: N-Octanoyldaunorubicin
• Synonyms: N-[6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Octanamide; N-[6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-10-Methoxy-6,11-Dioxo-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-4-Tetrahydropyranyl]Octanamide; N-[6-[[(1S,3S)-3-Acetyl-3,5,12-Trihydroxy-6,11-Diketo-10-Methoxy-2,4-Dihydro-1H-Tetracen-1-Yl]Oxy]-3-Hydroxy-2-Methyl-Tetrahydropyran-4-Yl]Caprylamide
• Molecular Formula: C₃₅H₄₃NO₁₁
• Molecular Weight: 653.72
• CAS Registry Number: 62327-70-2
• SMILES: [C@@]5(C[C@H](OC1CC(NC(=O)CCCCCCC)C(C(C)O1)O)C4=C(O)C2=C(C(C3=C(C2=O)C(=CC=C3)OC)=O)C(=C4C5)O)(O)C(=O)C
• InChI: 1S/C35H43NO11/c1-5-6-7-8-9-13-24(38)36-21-14-25(46-17(2)30(21)39)47-23-16-35(44,18(3)37)15-20-27(23)34(43)29-28(32(20)41)31(40)19-11-10-12-22(45-4)26(19)33(29)42/h10-12,17,21,23,25,30,39,41,43-44H,5-9,13-16H2,1-4H3,(H,36,38)/t17?,21?,23-,25?,30?,35-/m0/s1
• InChIKey: RBOVTPOPAHJDMG-BPSXPFQISA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 876.493°C at 760 mmHg (Cal.)
• Flash point: 483.886°C (Cal.)