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Teriflunomide-[d4]

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General Information
Catalog: BLP-009618
CAS: 1185240-22-5
Molecular Formula: C12H5F3N2O2D4
Molecular Weight: 274.24

Chemical Structure

Description	The active metabolite of Leflunomide, a potent disease-modifying antirheumatic drug used in the treatment of rheumatoid arthritis.
Synonyms	Leflunomide-d4 Metabolite; N-(4-Trifluoromethylphenyl)-2-cyano-3-hydroxycrotonamide-d4; 2-Cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]-2-beuteamide-d4
IUPAC Name	(Z)-2-cyano-3-hydroxy-N-[2,3,5,6-tetradeuterio-4-(trifluoromethyl)phenyl]but-2-enamide
Related CAS	163451-81-8 (unlabelled)
Canonical SMILES	CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O
InChI	InChI=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-/i2D,3D,4D,5D
InChI Key	UTNUDOFZCWSZMS-KXFGXCNQSA-N
Melting Point	230-232°C
Purity	> 95%
Appearance	Off-White Solid