3''-(beta-Chloroethyl)-2'',4''-dioxo-3,5''-spirooxazolidino-4-deacetoxyvinblastine
[CAS# 165659-77-8]

Identification

• Name: 3''-(beta-Chloroethyl)-2'',4''-dioxo-3,5''-spirooxazolidino-4-deacetoxyvinblastine
• Synonyms: 3''-(Beta-Chloroethyl)-2'',4''-Dioxo-3,5''-Spirooxazolidino-4-Deacetoxyvinblastine; Kar 2; Kar-2
• Molecular Formula: C₄₆H₅₆ClN₅O₇
• Molecular Weight: 826.43
• CAS Registry Number: 165659-77-8
• SMILES: [C@@]145[C@H]2N(CC1)CC=C[C@]2(C[C@@]3(OC(=O)N(C3=O)CCCl)[C@@H]4N(C6=CC(=C(C=C56)[C@]8(C[C@@H]7C[C@](O)(CN(C7)CCC9=C8[NH]C%10=CC=CC=C9%10)CC)C(OC)=O)OC)C)CC
• InChI: 1S/C46H56ClN5O7/c1-6-42-14-10-17-51-19-15-44(37(42)51)31-21-32(35(57-4)22-34(31)49(3)38(44)46(26-42)39(53)52(20-16-47)41(55)59-46)45(40(54)58-5)24-28-23-43(56,7-2)27-50(25-28)18-13-30-29-11-8-9-12-33(29)48-36(30)45/h8-12,14,21-22,28,37-38,48,56H,6-7,13,15-20,23-27H2,1-5H3/t28-,37-,38+,42-,43-,44+,45-,46+/m0/s1
• InChIKey: NUXKIZBEPYVRKP-RWBWKAGLSA-N

Properties

• Density: 1.413g/cm³ (Cal.)