Vincristine
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Molecular Identity
Vincristine
methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-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]-8-formyl-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
PubChem CID: 5978
Vincristine is a vinca alkaloid with formula C46H56N4O10 found in the Madagascar periwinkle, Catharanthus roseus. It is used (commonly as the corresponding sulfate salt)as a chemotherapy drug for the treatment of leukaemia, lymphoma, myeloma, breast cancer and head and neck cancer. It has a role as a drug, an antineoplastic agent, a tubulin modulator, a microtubule-destabilising agent and a plant metabolite. It is a member of formamides, a methyl ester, a tertiary alcohol, a vinca alkaloid, an organic heterotetracyclic compound, an organic heteropentacyclic compound, an acetate ester and a tertiary amino compound. It is a conjugate base of a vincristine(2+). It derives from a hydride of a vincaleukoblastine.
2D Structure
Properties
C46H56N4O10
Molecular Formula
825.00
Molecular Weight
g/mol
824.3996
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
171
TPSA
May have limited oral absorption
3
H-Bond Donors
12
H-Bond Acceptors
1750
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=O)(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=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)OSynonyms(20)
vincristine22-OxovincaleukoblastineLeurocristineVinkristin57-22-7VincrystineVincristinaleucristinevincristinTecnocrisOnco TCSOncovineOncotcsVincristinumVincaleukoblastine, 22-oxo-
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Vincristine
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