N(2')-Deacetyl-N(2')-(1-Oxopropyl)Maytansine
[CAS# 38997-09-0]

Identification

• Name: N(2')-Deacetyl-N(2')-(1-Oxopropyl)Maytansine
• Synonyms: Nsc 165013; Maytanprine; Nsc165013
• Molecular Formula: C₃₅H₄₈ClN₃O₁₀
• Molecular Weight: 706.23
• CAS Registry Number: 38997-09-0
• SMILES: N3(C(=O)C[C@H](OC(=O)C(N(C(=O)CC)C)C)[C@@]1(O[C@H]1[C@@H]([C@H]2OC(=O)N[C@](O)(C2)[C@H](OC)\C=C\C=C(CC4=CC3=C(Cl)C(=C4)OC)/C)C)C)C
• InChI: 1S/C35H48ClN3O10/c1-10-28(40)38(6)21(4)32(42)48-27-17-29(41)39(7)23-15-22(16-24(45-8)30(23)36)14-19(2)12-11-13-26(46-9)35(44)18-25(47-33(43)37-35)20(3)31-34(27,5)49-31/h11-13,15-16,20-21,25-27,31,44H,10,14,17-18H2,1-9H3,(H,37,43)/b13-11+,19-12+/t20-,21?,25+,26-,27+,31+,34+,35+/m1/s1
• InChIKey: BVXGVRDMHBYRCQ-IKGIXDAQSA-N

Properties

• Density: 1.308g/cm³ (Cal.)
• Boiling point: 899.957°C at 760 mmHg (Cal.)
• Flash point: 498.076°C (Cal.)