vinorelbine
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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
vinorelbine
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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: 5311497
Vinorelbine is a vinca alkaloid with a norvinblastine skeleton. It has a role as an antineoplastic agent and a photosensitizing agent. It is a methyl ester, a vinca alkaloid, a ring assembly, an organic heterotetracyclic compound, an organic heteropentacyclic compound and an acetate ester.
2D Structure
Properties
C45H54N4O8
Molecular Formula
778.90
Molecular Weight
g/mol
778.3942
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
134
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
11
H-Bond Acceptors
1690
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
vinorelbine71486-22-1VinorelbinaVinorelbinumNavelbinNor-5'-anhydrovinblastineQ6C979R91YNSC-760087DTXSID8040640CHEBI:480999C'-Norvincaleukoblastine, 3',4'-didehydro-4'-deoxy-Aspidospermidine-3-carboxylic acid, 4-(acetyloxy)-6,7-didehydro-15-((2R,6R,8S)-4-ethyl-1,3,6,7,8,9-hexahydro-8-(methoxycarbonyl)-2,6-methano-2H-azecino(4,3-b)indol-8-yl)-3-hydroxy-16-methoxy-1-methyl-, methyl ester, (2beta,3beta,4beta,5alpha,12R,19alpha)-methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-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-carboxylate5' Nor anhydrovinblastinemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-((12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo(12.3.1.03,11.04,9)octadeca-3(11),4,6,8,15-pentaen-12-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
Data from PubChem (NCBI)
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