Products 162652-95-1

CAS 162652-95-1 is the registry number for Vinflunine. Offered by: GLPBio. Available pack sizes: 10mg, 100mg, 5mg, 50mg.

Structural formula: {0} (CAS {1})

Vinflunine is an organic heteropentacyclic compound and an organic heterotetracyclic compound that is vinorelbine in which the tetrahydropyridine moiety of the heterotetracyclic part of the molecule has been redced to the corresponding piperidine, and in which the ethyl group attached to this ring has been replaced by a 1,1-difluoroethyl group. It has a role as an antineoplastic agent. It is a methyl ester, a vinca alkaloid, an organic heterotetracyclic compound, an organic heteropentacyclic compound, an acetate ester and a semisynthetic derivative. It is functionally related to a vinorelbine.

Source: ChEBI

Identity
Molecular formulaC45H54F2N4O8
Molecular weight816.9 g/mol
IUPAC namemethyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-[(12S,14S,16R)-16-(1,1-difluoroethyl)-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-12-ethyl-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
InChIKeyNMDYYWFGPIMTKO-KLCPSUAYSA-N
SMILESCC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C

Computed by PubChem (NCBI)