4'-Deoxy-20',20'-difluoro-C'-norvincaleukoblastine (Vinflunine) (CHEM077461)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-04-04 18:18:45 UTC | ||||||||
| Update Date | 2026-08-22 14:48:30 UTC | ||||||||
| Accession Number | CHEM077461 | ||||||||
| Identification | |||||||||
| Common Name | 4'-Deoxy-20',20'-difluoro-C'-norvincaleukoblastine (Vinflunine) | ||||||||
| Class | Small Molecule | ||||||||
| Description | 4'-Deoxy-20',20'-difluoro-C'-norvincaleukoblastine (Vinflunine) belongs to the vinca alkaloids, a class of alkaloids and derivatives within the organic compounds. With an average molecular weight of 816.94 g/mol, 4'-Deoxy-20',20'-difluoro-C'-norvincaleukoblastine (Vinflunine) is a heavy molecule. It has the chemical formula C45H54F2N4O8. This compound acts as an inhibitor of the Tubulin beta chain (TUBB). It is utilized as an antineoplastic agent within healthcare, pharmaceuticals, and veterinary products, and is administered via intravenous exposure. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C45H54F2N4O8 | ||||||||
| Average Molecular Mass | 816.944 g/mol | ||||||||
| Monoisotopic Mass | 816.391 g/mol | ||||||||
| CAS Registry Number | 162652-95-1 | ||||||||
| IUPAC Name | Methyl 4beta-(acetyloxy)-15-[(4R,6S,8S)-4-(1,1-difluoroethyl)-8-(methoxycarbonyl)-1,3,4,5,6,7,8,9-octahydro-2,6-methanoazecino[4,3-b]indol-8-yl]-3beta-hydroxy-16-methoxy-1-methyl-2beta,5alpha,12beta,1 9alpha-6,7-didehydroaspidospermidine-3alpha-carboxylate | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H][C@@]12N3CC[C@@]11C4=C(C=C(OC)C(=C4)[C@]4(C[C@@H]5C[C@H](CN(C5)CC5=C4NC4=C5C=CC=C4)C(C)(F)F)C(=O)OC)N(C)[C@@]1([H])[C@](O)([C@H](OC(C)=O)[C@]2(CC)C=CC3)C(=O)OC | ||||||||
| InChI Identifier | InChI=1S/C45H54F2N4O8/c1-8-42-14-11-16-51-17-15-43(36(42)51)30-19-31(34(56-5)20-33(30)49(4)37(43)45(55,40(54)58-7)38(42)59-25(2)52)44(39(53)57-6)21-26-18-27(41(3,46)47)23-50(22-26)24-29-28-12-9-10-13-32(28)48-35(29)44/h9-14,19-20,26-27,36-38,48,55H,8,15-18,21-24H2,1-7H3/t26-,27+,36-,37+,38+,42+,43+,44-,45-/m0/s1 | ||||||||
| InChI Key | NMDYYWFGPIMTKO-KLCPSUAYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
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| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
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| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
