Name: Brexpiprazole-d8
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671120
Cas No:1427049-21-5
常用名:Brexpiprazole-d8
别名:OPC-34712 D8
IUPAC:7-{4-[4-(1-benzothiophen-4-yl)(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one
IUPAC:7-{4-[4-(1-benzothiophen-4-yl)(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one
InChI key:ZKIAIYBUSXZPLP-DHNBGMNGSA-N

分子式:C25H27N3O2S
分子量:441.62
氢键供体数 (HBD):1
氢键受体数 (HBA):4
LogP:4.6497025
SMILES:[2H]C1([2H])N(CCCCOc2ccc3ccc(=O)[nH]c3c2)C([2H])([2H])C([2H])([2H])N(c2cccc3sccc23)C1([2H])[2H]
SMILES:[2H]C1([2H])N(CCCCOc2ccc3ccc(=O)[nH]c3c2)C([2H])([2H])C([2H])([2H])N(c2cccc3sccc23)C1([2H])[2H]

Brexpiprazole D8 (OPC-34712 D8) is a deuterium-labeled Brexpiprazole. Brexpiprazole is a partial agonist of human 5-HT1A and dopamine receptors (Ki: 0.12 nM and 0.3 nM).

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