Name: Brexpiprazole S-oxide D8
Rating: 5 (10 reviews)

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HIT ID:HIT212671122
Cas No:2748605-29-8
常用名:Brexpiprazole S-oxide D8
别名:DM-3411 D8
IUPAC:7-{4-[4-(1-oxo-1lambda4-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-oxo-1lambda4-benzothiophen-4-yl)(2,2,3,3,5,5,6,6-2H8)piperazin-1-yl]butoxy}-1,2-dihydroquinolin-2-one
InChI key:VJYXYAVCCLPIPM-DHNBGMNGSA-N

分子式:C25H27N3O3S
分子量:457.62
氢键供体数 (HBD):1
氢键受体数 (HBA):5
LogP:2.8693335
SMILES:[2H]C1([2H])N(CCCCOc2ccc3ccc(=O)[nH]c3c2)C([2H])([2H])C([2H])([2H])N(c2cccc3c2ccs3=O)C1([2H])[2H]
SMILES:[2H]C1([2H])N(CCCCOc2ccc3ccc(=O)[nH]c3c2)C([2H])([2H])C([2H])([2H])N(c2cccc3c2ccs3=O)C1([2H])[2H]

Brexpiprazole S-oxide D8 (DM-3411 D8) is a deuterium-labeled Brexpiprazole S-oxide, the primary metabolite of Brexpiprazole, which is a partial agonist of human 5-HT1A and dopamine receptors (Kis: 0.12 nM and 0.3 nM).

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