Name: Agomelatine-d6
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212686835
Cas No:1079389-42-6
常用名:Agomelatine-d6
别名:S-20098 D6, Agomelatine D6
IUPAC:N-{2-[7-(2H3)methoxynaphthalen-1-yl]ethyl}(2H3)acetamide
IUPAC:N-{2-[7-(2H3)methoxynaphthalen-1-yl]ethyl}(2H3)acetamide
InChI key:YJYPHIXNFHFHND-WFGJKAKNSA-N

分子式:C15H17NO2
分子量:249.343
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:2.0383275
SMILES:[2H]C([2H])([2H])Oc1ccc2cccc(CCNC(=O)C([2H])([2H])[2H])c2c1
SMILES:[2H]C([2H])([2H])Oc1ccc2cccc(CCNC(=O)C([2H])([2H])[2H])c2c1

Agomelatine D6 (S-20098 D6) is a deuterium-labeled Agomelatine. Agomelatine is a specific agonist of MT1 and MT2 receptors.

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