Products 163451-81-8

CAS 163451-81-8 appears in our catalog under these names: Leflunomide EP Impurity B (Teriflunomide), A 77-1726, >95% (HPLC), Teriflunomide, >95% (HPLC), (2Z)-2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamide (Teriflunomide), A–771726. Offered by: Chemat Brand, TRC, Mikromol, GLPBio, TargetMol. Available pack sizes: on request, 10mg, 500mg, 50mg, 100mg, 25mg, 5mg, 10g.

Structural formula: {0} (CAS {1})

Teriflunomide is an 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. It has a role as a non-steroidal anti-inflammatory drug, a tyrosine kinase inhibitor, a drug metabolite, a hepatotoxic agent and an EC 1.3.98.1 [dihydroorotate oxidase (fumarate)] inhibitor. It is a secondary carboxamide, a nitrile, an enol, an enamide, an aromatic amide and a member of (trifluoromethyl)benzenes.

Source: ChEBI

Identity
Molecular formulaC12H9F3N2O2
Molecular weight270.21 g/mol
IUPAC name(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
InChIKeyUTNUDOFZCWSZMS-YFHOEESVSA-N
SMILESC/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/O

Computed by PubChem (NCBI)