O3-Acetyl-O3-De2-(Acetylmethylamino)-1-Oxopropyl-Maytansine
[CAS# 57103-69-2]

Identification

• Name: O3-Acetyl-O3-De2-(Acetylmethylamino)-1-Oxopropyl-Maytansine
• Synonyms: Maytansine, O3-Acetyl-O3-De[2-(Acetylmethylamino)-1-Oxopropyl]-; Nsc239387; 4,24-Dioxa-9,22-Diazatetracyclo[19.3.1.110,14.03,5]Hexacosane, Maytansine Deriv.
• Molecular Formula: C₃₀H₃₉ClN₂O₉
• Molecular Weight: 607.10
• CAS Registry Number: 57103-69-2
• 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(=O)C)=O)C
• InChI: 1S/C30H39ClN2O9/c1-16-9-8-10-23(39-7)30(37)15-22(41-28(36)32-30)17(2)27-29(4,42-27)24(40-18(3)34)14-25(35)33(5)20-12-19(11-16)13-21(38-6)26(20)31/h8-10,12-13,17,22-24,27,37H,11,14-15H2,1-7H3,(H,32,36)/b10-8+,16-9+
• InChIKey: MQYZCKOGTWYJAZ-VYWHLGQJSA-N

Properties

• Density: 1.331g/cm³ (Cal.)
• Boiling point: 827.433°C at 760 mmHg (Cal.)
• Flash point: 454.215°C (Cal.)