Teriflunomide
(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
Molecular Identity
Teriflunomide
(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
PubChem CID: 54684141
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.
2D Structure
Properties
C12H9F3N2O2
Molecular Formula
270.21
Molecular Weight
g/mol
270.0616
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
73.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
426
Complexity
SMILES
Canonical SMILES
SMILES: CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)OIsomeric SMILES
SMILES: C/C(=C(\C#N)/C(=O)NC1=CC=C(C=C1)C(F)(F)F)/OSynonyms(20)
Teriflunomide163451-81-8AubagioFlucyamideA77 1726HMR1726HMR-1726(Z)-2-Cyano-3-hydroxy-N-(4-(trifluoromethyl)phenyl)but-2-enamideHMR 1726A-771726teriflunomidaA771726A 771726SU 20(Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Teriflunomide
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