(2Z)-2-氰基-3-(3,4-二羟基-5-硝基苯基)-N,N-二乙基-2-丙烯酰胺

• 常用名: (2Z)-2-氰基-3-(3,4-二羟基-5-硝基苯基)-N,N-二乙基-2-丙烯酰胺
• 英文名: cis-entacapone
• CAS号: 145195-63-7
• 分子量: 305.28600
• 密度: N/A
• 沸点: N/A
• 分子式: C₁₄H₁₅N₃O₅
• 熔点: 142-144°C
• 闪点: N/A

用途

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.

名称

• 中文名: (2Z)-2-氰基-3-(3,4-二羟基-5-硝基苯基)-N,N-二乙基-2-丙烯酰胺
• 英文名: (Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
• 中文别名: 顺式恩他卡朋

物理化学性质

• 熔点: 142-144°C
• 分子式: C₁₄H₁₅N₃O₅
• 分子量: 305.28600
• 精确质量: 305.10100
• PSA: 130.38000
• LogP: 2.30458
• InChIKey: JRURYQJSLYLRLN-YHYXMXQVSA-N
• SMILES: CCN(CC)C(=O)C(C#N)=Cc1cc(O)c(O)c([N+](=O)[O-])c1
• 储存条件: Hygroscopic, -20°C Freezer, Under Inert Atmosphere

安全信息

• 危险品运输编码: NONH for all modes of transport

英文别名

• UNII-4X96VV9HUQ
• cis-Entacapone
• Entacapone impurity A
• 4-dihydroxy-5-nitrophenyl) acrylamide