Vinflunine

Chemical Information
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of the molecule has been redced to the corresponding piperidine, and in which the ethyl group attached to this ring has been replaced by a 1,1-difluoroethyl group.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.
| CAS Number | 162652-95-1 |
| PubChem CID | 10629256 |
| IUPAC Name | methyl (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 |
| Molecular Formula | C45H54F2N4O8 |
| Molecular Weight | 816.9 |
| XLogP | 4.4 |
| Topological Polar Surface Area | 134 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1720 |
| Property | Value |
|---|---|
| Molecular Weight | 816.9 |
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 10 |
| Exact Mass | 816.39097102 |
| Monoisotopic Mass | 816.39097102 |
| Topological Polar Surface Area | 134 Ų |
| Heavy Atom Count | 59 |
| Formal Charge | 0 |
| Complexity | 1720 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 9 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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