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Substance Name: Deacetoxyvinzolidine
RN: 165659-77-8
UNII: 6PBV11IO5E
InChIKey: NUXKIZBEPYVRKP-RWBWKAGLSA-N

Molecular Formula

  • C46-H56-Cl-N5-O7

Molecular Weight

  • 826.429
 
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Names and Synonyms

Name of Substance

  • Deacetoxyvinzolidine

Synonyms

  • 3''-(beta-Chloroethyl)-2'',4''-dioxo-3,5''-spirooxazolidino-4-deacetoxyvinblastine
  • KAR-2
  • Methyl (3R-(3R*,5S*,7R*,9S*))-9-((2beta,3beta,5alpha,12beta,19alpha)-3'-(2-chloroethyl)-6,7-didehydro-16-methoxy-1-methyl-2',4'-dioxospiro(aspidospermidine-3,5'-oxazolidin)-15-yl)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-2H-3,7-methanoazacycloundecino(5,4-b)indole-9-carboxylate
  • UNII-6PBV11IO5E

Systematic Name

  • 2H-3,7-Methanoazacycloundecino(5,4-b)indole-9-carboxylic acid, 9-((2beta,3beta,5alpha,12beta,19alpha)-3'-(2-chloroethyl)-6,7-didehydro-16-methoxy-1-methyl-2',4'-dioxospiro(aspidospermidine-3,5'-oxazolidin)-15-yl)-5-ethyl-1,4,5,6,7,8,9,10-octahydro-5-hydroxy-, methyl ester, (3R-(3R*,5S*,7R*,9S*))-

Registry Numbers

CAS Registry Number

  • 165659-77-8

FDA UNII

  • 6PBV11IO5E

System Generated Number

  • 0165659778

Structure Descriptors

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

Smiles

c12ccccc2[nH]c2c1CC[N@]1C[C@](C[C@H](C[C@@]2(c2c(cc3c([C@@]45[C@@H]6[C@@](C[C@@]7([C@H]5N3C)C(=O)N(CCCl)C(=O)O7)(C=CC[N@@]6CC4)CC)c2)OC)C(OC)=O)C1)(O)CC