4-Desacetylvinblastine

methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

Also Known As: 4-Desacetylvinblastine|Desacetylvinblastine|Deacetylvinblastine|4-Deacetylvinblastine|deacetyl-vinblastine|17-desacetylvinblastine|4-Desacetyl Vinblastine|O(4)-deacetylvinblastine|Vincaleukoblastine, deacetyl-|DVBL-O(4)|Vincaleukoblastine, O(sup 4)-deacetyl-|Vincaleukoblastine, O4-deacetyl-|Vincristine Sulfate EP Impurity E|Octadecanoic acid, manganese(2+) salt|methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate|methyl (3aR,3a1R,4R,5S,5aR)-3a-ethyl-9-((5S,7S,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-4,5-dihydroxy-8-methoxy-6-methyl-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

Molecular Formula	C44H56N4O8
Molecular Weight	768.4098 g/mol
LogP	3.7
Topological Polar Surface Area	148.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	11
Rotatable Bonds	8
Exact Mass	768.4098
Monoisotopic Mass	768.4098
Heavy Atoms	56
Complexity	1580.0

Chemical Identifiers

CAS Number	3352-69-0
SMILES	CC[C@@]1(C[C@@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC)O
InChIKey	NDMPLJNOPCLANR-SAYSVMKTSA-N