Name: Cimetropium Bromide
Rating: 5 (10 reviews)

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HIT ID:HIT212708427
Cas No:51598-60-8
常用名:Cimetropium Bromide
别名:西托溴铵, DA-3177
IUPAC:(1R,2R,4S,5S,7R)-9-(cyclopropylmethyl)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
IUPAC:(1R,2R,4S,5S,7R)-9-(cyclopropylmethyl)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azatricyclo[3.3.1.0^{2,4}]nonan-9-ium bromide
InChI key:WDURTRGFUGAJHA-GSWUYBTGSA-M

分子式:C21H28BrNO4
分子量:438.362
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:-2.486807
SMILES:[Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |TLB:15:9:2:12.14|
SMILES:[Br-].C[N+]1(CC2CC2)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1 |TLB:15:9:2:12.14|

Cimetropium Bromide is a mAChR antagonist used for long-term treatment of irritable bowel syndrome.

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