Vindesine
methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Molecular Identity
Vindesine
methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
PubChem CID: 40839
Vindesine is a primary carboxamide, a methyl ester, a tertiary alcohol, a vinca alkaloid, an organic heterotetracyclic compound, an organic heteropentacyclic compound and a tertiary amino compound. It has a role as an antineoplastic agent. It is functionally related to a vincaleukoblastine.
2D Structure
Properties
C43H55N5O7
Molecular Formula
753.90
Molecular Weight
g/mol
753.4101
Exact Mass
Da
2.7
XLogP
Drug-like (Lipinski: < 5)
165
TPSA
May have limited oral absorption
5
H-Bond Donors
10
H-Bond Acceptors
1570
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)N)O)O)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)N)O)O)CC)OC)C(=O)OC)OSynonyms(20)
vindesine53643-48-4Desacetylvinblastine amideVindesinumVincaleukoblastine, 3-(aminocarbonyl)-O4-deacetyl-3-de(methoxycarbonyl)-DTXSID6023739VindesinCHEBI:363733-(aminocarbonyl)-O(4)-deacetyl-3-de(methoxycarbonyl)vincaleukoblastineCompound 112531methyl (13S,15S,17S)-13-[(1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-17-ethyl-17-hydroxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13-carboxylatevindesin sulfatevindesin sulphatemethyl (13S,15S,17S)-13-((1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo(10.6.1.0^(1,9).0^(2,7).0^(16,19))nonadeca-2(7),3,5,13-tetraen-4-yl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo(13.3.1.0^(4,12).0^(5,10))nonadeca-4(12),5,7,9-tetraene-13-carboxylatemethyl (13S,15S,17S)-13-((1R,9R,10S,11R,12R,19R)-10-carbamoyl-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo(10.6.1.01,9.02,7.016,19)nonadeca-2,4,6,13-tetraen-4-yl)-17-ethyl-17-hydroxy-1,11-diazatetracyclo(13.3.1.04,12.05,10)nonadeca-4(12),5,7,9-tetraene-13-carboxylate
Data from PubChem (NCBI)
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