3-(((2-((4-Azido-2-nitrophenyl)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-Vincaleukoblastine
[CAS# 126443-96-7]

Identification

• Name: 3-(((2-((4-Azido-2-nitrophenyl)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-Vincaleukoblastine
• Synonyms: 3-(((2-((4-Azido-2-nitrophenyl)amino)ethyl)amino)carbonyl)-O4-deacetyl-3-de(methoxycarbonyl)vincaleukoblastine; 3-(((2-Amino-(4-azido-2-nitrophenyl)ethyl)amino)carbonyl)-O(4)-deacetyl-3-de-(methoxycarbonyl)vincaleukoblastine
• Molecular Formula: C₅₁H₆₂N₁₀O₉
• Molecular Weight: 959.10
• CAS Registry Number: 126443-96-7
• SMILES: [O-][N+](=O)c1cc(/N=[N+]=[N-])ccc1NCCNC(=O)C5(O)C3N(c2cc(OC)c(cc2C34C6N(CC4)C\C=C/C6(C5O)CC)C%10(C(=O)OC)c8c(c7ccccc7n8)CCN9CC(O)(CC)CC(C9)C%10)C
• InChI: 1S/C51H62N10O9/c1-6-47(65)26-30-27-50(46(64)70-5,41-33(15-21-59(28-30)29-47)32-11-8-9-12-36(32)55-41)35-24-34-38(25-40(35)69-4)58(3)43-49(34)17-22-60-20-10-16-48(7-2,42(49)60)44(62)51(43,66)45(63)54-19-18-53-37-14-13-31(56-57-52)23-39(37)61(67)68/h8-14,16,23-25,30,42-44,53,55,62,65-66H,6-7,15,17-22,26-29H2,1-5H3,(H,54,63)
• InChIKey: JZGDNMXSOCDEFQ-UHFFFAOYSA-N

Properties

• Refractive index: (Cal.)