Entacapone EP IMpurity I Chemical Properties

Boiling point:

465.4±45.0 °C(Predicted)

Density 

1.448±0.06 g/cm3(Predicted)

pka

4.96±0.50(Predicted)

InChI

InChI=1S/C13H12N2O6/c1-2-3-21-13(18)9(7-14)4-8-5-10(15(19)20)12(17)11(16)6-8/h4-6,16-17H,2-3H2,1H3/b9-4+

InChIKey

FKCZGPKFDJMUSV-RUDMXATFSA-N

SMILES

C(OCCC)(=O)/C(/C#N)=C/C1=CC([N+]([O-])=O)=C(O)C(O)=C1

Entacapone EP IMpurity I Usage And Synthesis

Uses

Isopropyl (2E)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enoate 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.

Entacapone EP IMpurity I(1364322-42-8)Related Product Information

• Entacapone EP IMpurity B
• 3,4-Dihydroxy-5-Nitrobenzoic Acid
• 3-Nitro-4,5-dihydroxybenzaldehyde
• Entacapone
• TYRPHOSTIN AG 1290
• (2E)-2-Cyano-3-(3-ethoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide
• CIS-ENTACAPONE
• (alphaE)-alpha-[(3,4-Dihydroxy-5-nitrophenyl)methylene]-beta-oxo-1-piperidinepropanenitrile
• 3,5-DINITROCATECHOL
• (E/Z)-3-O-Methyl Entacapone
• (E)-3-O-Methyl Entacapone
• Entacapone 3-b-D-Glucuronide
• Entacapone Impurity 13
• 2-Propenamide, 2-cyano-3-(3,4-dihydroxyphenyl)-N,N-diethyl-, (2E)-
• Entacapone EP Impurity G
• 6-Methoxy-2,4-dinitrophenol
• Entacapone Impurity 4
• Entacapone Impurity 10