(1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-(3-cyano-4-morpholinyl)-2,3,6-trideoxyhexopyranoside
[CAS# 88254-07-3]

Identification

• Name: (1S,3S)-3-Glycoloyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-(3-cyano-4-morpholinyl)-2,3,6-trideoxyhexopyranoside
• Synonyms: 3'-(3-Cyano-4-morpholinyl)-3'-deamino-adriamycin; 3'-Deamino-3'-(3-cyano-4-morpholinyl) doxorubicin, isomer a; 3'-Deamino-3'-(3-cyano-4-morpholinyl)doxorubicin
• Molecular Formula: C₃₂H₃₄N₂O₁₂
• Molecular Weight: 638.62
• CAS Registry Number: 88254-07-3
• SMILES: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O
• InChI: 1S/C32H34N2O12/c1-14-27(37)18(34-6-7-44-13-15(34)11-33)8-22(45-14)46-20-10-32(42,21(36)12-35)9-17-24(20)31(41)26-25(29(17)39)28(38)16-4-3-5-19(43-2)23(16)30(26)40/h3-5,14-15,18,20,22,27,35,37,39,41-42H,6-10,12-13H2,1-2H3
• InChIKey: YIMDLWDNDGKDTJ-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 899.2±65.0°C at 760 mmHg (Cal.)
• Flash point: 497.6±34.3°C (Cal.)