deacetoxyvinzolidine
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deacetoxyvinzolidine
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CAS No:
165659-77-8
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Formula:
C46H56ClN5O7
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Chemical Name:
deacetoxyvinzolidine
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Synonyms:
3''-(beta-chloroethyl)-2'',4''-dioxo-3,5''-spirooxazolidino-4-deacetoxyvinblastine;deacetoxyvinzolidine;KAR 2;KAR-2;deacetoxyvinzolidine;1xa5;UNII-6PBV11IO5E;6PBV11IO5E;KAR-2;165659-77-8;3''-(beta-Chloroethyl)-2'',4''-dioxo-3,5''-spirooxazolidino-4-deacetoxyvinblastine;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*))-;DB02868;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;Q27265278;methyl (5S,7R,9S)-9-[(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]-5-ethyl-5-hydroxy-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole-9-carboxylate
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CAS No:
Computed Properties
Molecular Weight:826.4
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:825.3868268
Monoisotopic Mass:825.3868268
Topological Polar Surface Area:128
Heavy Atom Count:59
Complexity:1740
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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