vinblastine

methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,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-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate

CAS: 865-21-4

Molecular Formula	`C46H58N4O9`
Molecular Weight	811.0 g/mol
LogP	3.7
Topological Polar Surface Area	154.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	810.42035
Heavy Atoms	59
Complexity	1700.0

Chemical Identifiers

CAS Number	865-21-4
SMILES	`CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O`
InChIKey	`JXLYSJRDGCGARV-CFWMRBGOSA-N`

📖 Product Overview

vinblastine (CAS: 865-21-4) is a chemical compound with molecular formula C46H58N4O9 and molecular weight 811.0 g/mol. Its IUPAC systematic name is methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,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-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate. LogP 3.7 Topological Polar Surface Area 154.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 12 Rotatable Bonds 10 Exact Mass 810.42035 Heavy Atoms 59 Complexity 1700.0 InChI Key: JXLYSJRDGCGARV-CFWMRBGOSA-N. SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.

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