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CHEBI:90241 - vinflunine

ChEBI IDCHEBI:90241
ChEBI Namevinflunine
Stars
DefinitionAn 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of the molecule has been redced to the corresponding piperidine, and in which the ethyl group attached to this ring has been replaced by a 1,1-difluoroethyl group.
Last Modified22 February 2017
SubmitterGareth Owen
DownloadsMolfile
FormulaC45H54F2N4O8
Net Charge0
Average Mass816.943
Monoisotopic Mass816.39097
SMILES[H][C@@]1(C(C)(F)F)C[C@@H]2CN(Cc3c(nc4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@@]3([H])[C@@](O)(C(=O)OC)[C@]([H])(OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
InChIInChI=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
InChIKeyNMDYYWFGPIMTKO-KLCPSUAYSA-N
Wikipedia
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
vinflunine (CHEBI:90241) has functional parent vinorelbine (CHEBI:480999)
vinflunine (CHEBI:90241) has role antineoplastic agent (CHEBI:35610)
vinflunine (CHEBI:90241) is a acetate ester (CHEBI:47622)
vinflunine (CHEBI:90241) is a methyl ester (CHEBI:25248)
vinflunine (CHEBI:90241) is a organic heteropentacyclic compound (CHEBI:38164)
vinflunine (CHEBI:90241) is a organic heterotetracyclic compound (CHEBI:38163)
vinflunine (CHEBI:90241) is a semisynthetic derivative (CHEBI:72588)
vinflunine (CHEBI:90241) is a vinca alkaloid (CHEBI:27288)
IUPAC Name 
methyl (2β,3β,4β,5α,12β,19α)-4-(acetyloxy)-15-[(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]-3-hydroxy-16-methoxy-1-methyl-6,7-didehydroaspidospermidine-3-carboxylate
INNs  Source
vinflunineWHO MedNet
vinfluninaWHO MedNet
vinfluninumWHO MedNet
vinflunineWHO MedNet
Synonyms  Source
4'-deoxy-20',20'-difluoro-5'-norvincaleukoblastineChEBI
4'-deoxy-20',20'-difluoro-8'-norvincaleukoblastineChEBI
20',20'-difluoro-3',4'-dihydrovinorelbineChEBI
Brand Name  Source
JavlorChEBI
Manual XrefsDatabases
VinflunineWikipedia
3644DrugCentral
Registry NumbersSources
Reaxys:15644716Reaxys
CAS:162652-95-1ChemIDplus
Citations