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CHEBI:68540 - teriflunomide

ChEBI IDCHEBI:68540
ChEBI Nameteriflunomide
Stars
DefinitionAn enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the anilino group of 4-(trifluoromethyl)aniline. Used for the treatment of relapsing forms of multiple sclerosis and rheumatoid arthritis.
Last Modified7 March 2018
SubmitterSteve
DownloadsMolfile

FormulaC12H9F3N2O2
Net Charge0
Average Mass270.210
Monoisotopic Mass270.06161
SMILESC/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H9F3N2O2/c1-7(18)10(6-16)11(19)17-9-4-2-8(3-5-9)12(13,14)15/h2-5,18H,1H3,(H,17,19)/b10-7-
InChIKeyUTNUDOFZCWSZMS-YFHOEESVSA-N

Wikipedia
Roles Classification

ChEBI Ontology
IUPAC Name 
(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
INNs  Source
teriflunomideChemIDplus
teriflunomidum  laWHO MedNet
teriflunomida  esWHO MedNet
tériflunomideWHO MedNet
Synonyms  Source
HMR1726ChemIDplus
(Z)-2-cyano-alpha,alpha,alpha-trifluoro-3-hydroxy-p-crotonotoluidideChemIDplus
A 771726ChemIDplus
HMR 1726ChemIDplus
A 77-1726ChemIDplus
Brand Name  Source
AubagioChemIDplus
Manual XrefsDatabases
D10172KEGG DRUG
A26PDBeChem
TeriflunomideWikipedia
4634DrugCentral
Registry NumbersSources
Reaxys:6655982Reaxys
CAS:163451-81-8KEGG DRUG
CAS:163451-81-8ChemIDplus
Citations