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CHEBI:6402 - leflunomide

ChEBI IDCHEBI:6402
ChEBI Nameleflunomide
Stars
DefinitionA monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-methyl-1,2-oxazole-4-carboxylic acid with the anilino group of 4-(trifluoromethyl)aniline. The prodrug of teriflunomide.
Last Modified22 February 2017
DownloadsMolfile

FormulaC12H9F3N2O2
Net Charge0
Average Mass270.210
Monoisotopic Mass270.06161
SMILESCc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)
InChIKeyVHOGYURTWQBHIL-UHFFFAOYSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
INNs  Source
léflunomide  frWHO MedNet
leflunomida  esWHO MedNet
leflunomidum  laWHO MedNet
leflunomideWHO MedNet
Synonyms  Source
LeflunomideKEGG COMPOUND
5-Methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamideChemIDplus
5-Methylisoxazole-4-carboxylic acid (4-trifluoromethyl)anilideChEBI
alpha,alpha,alpha-Trifluoro-5-methyl-4-isoxazolecarboxy-p-toluidideChemIDplus
Brand Name  Source
AravaKEGG DRUG
Manual XrefsDatabases
C07905KEGG COMPOUND
D00749KEGG DRUG
LeflunomideWikipedia
DB01097DrugBank
DE2854439Patent
US4284786Patent
HMDB0015229HMDB
LSM-3771LINCS
1552DrugCentral
Registry NumbersSources
Reaxys:4323174Reaxys
CAS:75706-12-6KEGG COMPOUND
CAS:75706-12-6ChemIDplus
Citations