Name: 3-Hydroxy agomelatine D3
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212666769
Cas No:1079774-23-4
常用名:3-Hydroxy agomelatine D3
IUPAC:N-{2-[3-hydroxy-7-(2H3)methoxynaphthalen-1-yl]ethyl}acetamide
IUPAC:N-{2-[3-hydroxy-7-(2H3)methoxynaphthalen-1-yl]ethyl}acetamide
InChI key:VUBBOOVHTBZRTJ-BMSJAHLVSA-N

分子式:C15H17NO3
分子量:262.323
氢键供体数 (HBD):2
氢键受体数 (HBA):3
LogP:1.7347622
SMILES:[2H]C([2H])([2H])Oc1ccc2cc(O)cc(CCNC(C)=O)c2c1
SMILES:[2H]C([2H])([2H])Oc1ccc2cc(O)cc(CCNC(C)=O)c2c1

3-Hydroxy agomelatine D3 is a deuterium labeled 3-Hydroxy agomelatine. 3-Hydroxy agomelatine is an Agomelatine metabolite and a 5-HT2C receptor antagonist (IC50: 3.2 μM; Ki: 1.8 μM).

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