O3-De2-(Acetylmethylamino)-1-Oxopropyl-O3-(3-Methyl-1-Oxobutyl)-Maytansine
[CAS# 66547-10-2]

Identification

• Name: O3-De2-(Acetylmethylamino)-1-Oxopropyl-O3-(3-Methyl-1-Oxobutyl)-Maytansine
• Synonyms: Ansamitocin P 4; Maytansine, 3-De(2-(Acetylmethylamino)-1-Oxopropoxy)-3-(3-Methyl-1-Oxobutoxy)-; Maytansine, 3-De[2-(Acetylmethylamino)-1-Oxopropoxy]-3-(3-Methyl-1-Oxobutoxy)-
• Molecular Formula: C₃₃H₄₅ClN₂O₉
• Molecular Weight: 649.18
• CAS Registry Number: 66547-10-2
• SMILES: N3(C(=O)CC(OC(=O)CC(C)C)C1(OC1C(C2OC(=O)NC(O)(C2)C(OC)\C=C\C=C(CC4=CC(=C(Cl)C3=C4)OC)/C)C)C)C
• InChI: 1S/C33H45ClN2O9/c1-18(2)12-28(38)44-26-16-27(37)36(6)22-14-21(15-23(41-7)29(22)34)13-19(3)10-9-11-25(42-8)33(40)17-24(43-31(39)35-33)20(4)30-32(26,5)45-30/h9-11,14-15,18,20,24-26,30,40H,12-13,16-17H2,1-8H3,(H,35,39)/b11-9+,19-10+
• InChIKey: BGEJBAMYTJMJPW-CQZKQNGQSA-N

Properties

• Density: 1.286g/cm³ (Cal.)
• Boiling point: 838.673°C at 760 mmHg (Cal.)
• Flash point: 461.013°C (Cal.)