(2E)-3-De[2-[Acetyl(Methyl)Amino]-1-Oxopropoxy]-2,3-Didehydromaytansine
[CAS# 52978-28-6]

Identification

• Name: (2E)-3-De[2-[Acetyl(Methyl)Amino]-1-Oxopropoxy]-2,3-Didehydromaytansine
• Synonyms: Nsc219972
• Molecular Formula: C₂₈H₃₅ClN₂O₇
• Molecular Weight: 547.05
• CAS Registry Number: 52978-28-6
• SMILES: N3(C(=O)/C=C/C1(OC1C(C2OC(=O)NC(O)(C2)C(OC)\C=C\C=C(CC4=CC3=C(Cl)C(=C4)OC)/C)C)C)C
• InChI: 1S/C28H35ClN2O7/c1-16-8-7-9-22(36-6)28(34)15-21(37-26(33)30-28)17(2)25-27(3,38-25)11-10-23(32)31(4)19-13-18(12-16)14-20(35-5)24(19)29/h7-11,13-14,17,21-22,25,34H,12,15H2,1-6H3,(H,30,33)/b9-7+,11-10+,16-8+
• InChIKey: PDXPLYCPNXZSAL-UDXRPNOESA-N

Properties

• Density: 1.321g/cm³ (Cal.)
• Boiling point: 738.628°C at 760 mmHg (Cal.)
• Flash point: 400.508°C (Cal.)