Methyl (13S,15R,17S)-13-[(3Ar,5R,5Ar,10Br,13As)-3'-(2-Chloroethyl)-3A-Ethyl-8-Methoxy-6-Methyl-2',4'-Dioxo-3A,5A,6,11,12,13A-Hexahydro-1H,4H-Spiro[Indolizino[8,1-Cd]Carbazole-5,5'-[1,3]Oxazolidin]-9-Yl]-17-Ethyl-17-Hydroxy-1,11-Diazatetracyclo[13.3.1.0~4,12~.0~5,10~]Nonadeca-4(12),5,7,9-Tetraene-13-Carboxylate

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Properties Simple | Detailed

Formula C46H56ClN5O7
IUPAC Name methyl (13s,15r,17s)-13-[(3ar,5r,5ar,10br,13as)-3'-(2-chloroethyl)-3a-ethyl-8-methoxy-6-methyl-2',4'-dioxo-3a,5a,6,11,12,13a-hexahydro-1h,4h-spiro[indolizino[8,1-cd]carbazole-5,5'-[1,3]oxazolidin]-9-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.0 4,12 .0 5,10 ]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Molecular Mass 826.419 g·mol−1
Heat of Formation -894.2 ± 16.7 kJ·mol−1
Dipole Moment 5.14 ± 1.08 D
Volume 973.42 Å 3
Surface Area 672.35 Å 2
HOMO Energy -7.84 ± 0.55 eV
LUMO Energy -0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 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*))-
  • 3"-(beta-chloroethyl)-2",4"-dioxo-3, 5"-spiro-oxazolidino-4-deacetoxy-vinblastine
  • 3''-(beta-chloroethyl)-2'',4''-dioxo-3,5''-spirooxazolidino-4-deacetoxyvinblastine
  • kar
  • kar 2
  • 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
CAS Number(s)
  • 165659-77-8
InChIKey NUXKIZBEPYVRKP-RWBWKAGLSA-N
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