(2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide

CAS: 857629-79-9

Ref. TR-C956045

Product Information

• Name: (2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
• Synonyms: (2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide, Entacapone Imp. D (EP), Entacapone Impurity D
• CAS: 857629-79-9

Description

Applications (2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide is an impurity of Entacapone (E558500), a peripherally acting inhibitor of catechol-O-methyl transferase (COMT), an enzyme involved in the metabolism of catecholamine neurotransmitters and related drugs. Antiparkinsonian.
References Karlsson, M., et al.: J. Pharm. Biomed. Anal., 10, 593 (1992), Nissinen, E., et al.: Arch. Pharmacol., 346, 262 (1992), Wikberg, T., et al.: Eur. J. Drug Metab. Pharmacokinet., 18, 359 (1993),

• Brand: TRC

Chemical properties

• Molecular weight: 333.34
• Formula: C₁₆H₁₉N₃O₅
• InChI: InChI=1S/C16H19N3O5/c1-4-18(5-2)16(21)12(10-17)7-11-8-13(19(22)23)15(20)14(9-11)24-6-3/h7-9,20H,4-6H2,1-3H3/b12-7+
• SMILES: CCOc1cc(/C=C(\C#N)C(=O)N(CC)CC)cc([N+](=O)[O-])c1O