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
Molecular Identity
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
PubChem CID: 13342
2D Structure
Properties
C46H58N4O9
Molecular Formula
811.00
Molecular Weight
g/mol
810.4204
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
154
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
1700
Complexity
SMILES
Canonical SMILES
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)OIsomeric SMILES
SMILES: CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)OSynonyms(20)
vinblastine865-21-4VinblastinVincaleucoblastinVinblastinaVincoblastineVincaleukoblastineNincaluicolflastineVinblastinumVincaleucoblastineNCI-C048425V9KLZ54CYNSC 47842NDC 0002-1452-01NSC-47842
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vinblastine
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