Name: (Rac)-Mirabegron-d5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212686713
Cas No:1215807-38-7
常用名:(Rac)-Mirabegron-d5
别名:(Rac)-YM178 D5, (Rac)-Mirabegron D5
IUPAC:2-(2-amino-1,3-thiazol-4-yl)-N-{4-[2-({2-hydroxy-2-[(2,3,4,5,6-2H5)phenyl]ethyl}amino)ethyl]phenyl}acetamide
IUPAC:2-(2-amino-1,3-thiazol-4-yl)-N-{4-[2-({2-hydroxy-2-[(2,3,4,5,6-2H5)phenyl]ethyl}amino)ethyl]phenyl}acetamide
InChI key:PBAPPPCECJKMCM-RALIUCGRSA-N

分子式:C21H24N4O2S
分子量:401.54
氢键供体数 (HBD):4
氢键受体数 (HBA):5
LogP:2.8864114
SMILES:[2H]c1c([2H])c([2H])c(C(O)CNCCc2ccc(NC(=O)Cc3csc(N)n3)cc2)c([2H])c1[2H]
SMILES:[2H]c1c([2H])c([2H])c(C(O)CNCCc2ccc(NC(=O)Cc3csc(N)n3)cc2)c([2H])c1[2H]

(Rac)-Mirabegron D5 is a deuterium labeled (Rac)-Mirabegron. Mirabegron is a selective agonist of β3-adrenoceptor.

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