cis-Entacapone , ≥98% , 145195-63-7

Synonym(s):
(Z)-Entacapone;(2Z)-2-Cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide

CAS NO.：145195-63-7

Empirical Formula: C14H15N3O5

Molecular Weight: 305.29

MDL number: MFCD00869878

PRODUCT Properties

• Melting point: 142-144°C
• Boiling point: 526.6±50.0 °C(Predicted)
• Density: 1.392±0.06 g/cm3(Predicted)
• storage temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• solubility: Dichloromethane (Slightly), Methanol (Slightly)
• pka: 5.15±0.50(Predicted)
• color: Yellow to Orange
• Major Application: pharmaceutical
• InChI: 1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5-
• InChIKey: JRURYQJSLYLRLN-YHYXMXQVSA-N
• SMILES: [N+](=O)([O-])c1c(c(cc(c1)\C=C(/C(=O)N(CC)CC)\C#N)O)O

Description and Uses

cis-Entacapone is a metabolite of the catechol-O-methyltransferase (COMT) inhibitor entacapone . It is also a potential impurity found in commercial preparations of entacapone and a degradant of entacapone formed by UV light exposure.

cis-Entacapone (Entacapone EP Impurity A) is the (Z)-Isomer of Entacapone polymorphic form B. Antiparkinsonian.

Safety

• WGK Germany: WGK 3
• HS Code: 2926900005
• Storage Class: 11 - Combustible Solids