N(2')-Deacetyl-N(2')-(2-Methyl-1-Oxopropyl)-Maytansine
[CAS# 38997-10-3]

Identification

• Name: N(2')-Deacetyl-N(2')-(2-Methyl-1-Oxopropyl)-Maytansine
• Synonyms: Nsc165014; Maytanbutine
• Molecular Formula: C₃₆H₅₀ClN₃O₁₀
• Molecular Weight: 720.26
• CAS Registry Number: 38997-10-3
• SMILES: N1(C(CC(C4(C(C(C3CC(C(/C=C/C=C(CC2=CC(=C(C1=C2)Cl)OC)\C)OC)(O)NC(O3)=O)C)O4)C)OC(C(N(C(=O)C(C)C)C)C)=O)=O)C
• InChI: 1S/C36H50ClN3O10/c1-19(2)32(42)39(7)22(5)33(43)49-28-17-29(41)40(8)24-15-23(16-25(46-9)30(24)37)14-20(3)12-11-13-27(47-10)36(45)18-26(48-34(44)38-36)21(4)31-35(28,6)50-31/h11-13,15-16,19,21-22,26-28,31,45H,14,17-18H2,1-10H3,(H,38,44)/b13-11+,20-12+
• InChIKey: RJIVUFYDGYNSNE-SUZRTUOYSA-N

Properties

• Density: 1.294g/cm³ (Cal.)
• Boiling point: 900.852°C at 760 mmHg (Cal.)
• Flash point: 498.617°C (Cal.)