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Substance Name: N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine
RN: 103974-27-2
InChIKey: JGCLDPQQVPZGTK-NRUYZIJJSA-N

Molecular Formula

  • C52-H63-N9-O8

Molecular Weight

  • 942.125
 
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Names and Synonyms

Name of Substance

  • N-(4-Azidobenzoyl)-N'-beta-aminoethylvindesine

Synonyms

  • 4-Nabv
  • N-(4-Azidobenzoyl)-N'-(2-aminoethyl)vindesine
  • NABV

Systematic Name

  • Vincaleukoblastine, 3-(((2-aminoethyl)amino)carbonyl)-16'-(4-azidobenzoyl)-O4-deacetyl-3-de(methoxycarbonyl)-

Registry Numbers

CAS Registry Number

  • 103974-27-2

System Generated Number

  • 0103974272

Structure Descriptors

InChI

1S/C52H63N9O8/c1-6-48(66)27-31-28-51(47(65)69-5,41-35(17-23-59(29-31)30-48)34-11-8-9-12-38(34)61(41)42(62)32-13-15-33(16-14-32)56-57-54)37-25-36-39(26-40(37)68-4)58(3)44-50(36)19-24-60-22-10-18-49(7-2,43(50)60)45(63)52(44,67)46(64)55-21-20-53/h8-16,18,25-26,31,43-45,63,66-67H,6-7,17,19-24,27-30,53H2,1-5H3,(H,55,64)/t31-,43+,44-,45-,48+,49-,50?,51+,52+/m1/s1

InChIKey

JGCLDPQQVPZGTK-NRUYZIJJSA-N

Smiles

C(CNC(=O)[C@@]1([C@@H]2N(c3c([C@@]42[C@@H]2[C@@]([C@H]1O)(CC)C=CC[N@@]2CC4)cc(c(c3)OC)[C@@]1(c2n(c3c(c2CC[N@@]2C[C@@H](C1)C[C@@](O)(CC)C2)cccc3)C(c1ccc(cc1)N=[N+]=[N-])=O)C(=O)OC)C)O)N