Name: Bumetanide-d5
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212671145
Cas No:1216739-35-3
常用名:Bumetanide-d5
IUPAC:3-(butylamino)-4-[(2,3,4,5,6-2H5)phenoxy]-5-sulfamoylbenzoic acid
IUPAC:3-(butylamino)-4-[(2,3,4,5,6-2H5)phenoxy]-5-sulfamoylbenzoic acid
InChI key:MAEIEVLCKWDQJH-UPKDRLQUSA-N

分子式:C17H20N2O5S
分子量:369.45
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:2.4234617
SMILES:[2H]c1c([2H])c([2H])c(Oc2c(NCCCC)cc(cc2S(N)(=O)=O)C(O)=O)c([2H])c1[2H]
SMILES:[2H]c1c([2H])c([2H])c(Oc2c(NCCCC)cc(cc2S(N)(=O)=O)C(O)=O)c([2H])c1[2H]

Bumetanide D5 is a deuterium-labeled Bumetanide. Bumetanide is a Na+-K+-Cl- (NKCC1) inhibitor (IC50s: 0.68 and 4.0 μM for hNKCC1A and hNKCC2A).

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