Name: Vilazodone carboxylic acid
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212057541
Cas No:163521-19-5
常用名:Vilazodone carboxylic acid
IUPAC:5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxylic acid
IUPAC:5-{4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl}-1-benzofuran-2-carboxylic acid
InChI key:RSXUEYFLDNUILS-UHFFFAOYSA-N

分子式:C26H26N4O3
分子量:442.519
氢键供体数 (HBD):2
氢键受体数 (HBA):5
LogP:1.7907788
SMILES:OC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1
SMILES:OC(=O)c1cc2cc(ccc2o1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C#N)CC1

Vilazodone carboxylic acid is a vilazodone metabolite observed in both urine and plasma.

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