Name: cis-Entacapone
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219442057
Cas No:145195-63-7
常用名:cis-Entacapone
IUPAC:(2Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
IUPAC:(2Z)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide
InChI key:JRURYQJSLYLRLN-YHYXMXQVSA-N

分子式:C14H15N3O5
分子量:305.29
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN(CC)C(=O)C(=C/c1cc(O)c(O)c(c1)N(=O)=O)\C#N
SMILES:CCN(CC)C(=O)C(=C/c1cc(O)c(O)c(c1)N(=O)=O)\C#N

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.

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