Name: Loperamide oxide
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT212711220
Cas No:106900-12-3
常用名:Loperamide oxide
别名:氧洛哌丁胺
IUPAC:(1r,4s)-4-(4-chlorophenyl)-1-[3-(dimethylcarbamoyl)-3,3-diphenylpropyl]-4-hydroxypiperidin-1-ium-1-olate
IUPAC:(1r,4s)-4-(4-chlorophenyl)-1-[3-(dimethylcarbamoyl)-3,3-diphenylpropyl]-4-hydroxypiperidin-1-ium-1-olate
InChI key:KXVSBTJVTUVNPM-UKPNQBOSSA-N

分子式:C29H33ClN2O3
分子量:493.04
氢键供体数 (HBD):1
氢键受体数 (HBA):3
LogP:3.6468158
SMILES:CN(C)C(=O)C(CC[N@+]1([O-])CC[C@](O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 |wU:8.7,12.12,wD:8.8,12.16,(7.73,-3.9,;6.39,-3.13,;6.39,-1.59,;5.06,-3.9,;3.73,-3.13,;5.06,-5.44,;6.6,-5.44,;7.37,-6.77,;8.91,-6.77,;8.64,-8.29,;10.36,-7.3,;11.54,-6.31,;11.27,-4.79,;11.54,-3.28,;9.82,-4.27,;8.64,-5.26,;12.81,-4.79,;13.58,-3.46,;15.12,-3.46,;15.89,-4.79,;17.43,-4.79,;15.12,-6.13,;13.58,-6.13,;5.06,-6.98,;6.39,-7.75,;6.39,-9.29,;5.06,-10.06,;3.73,-9.29,;3.73,-7.75,;3.52,-5.44,;2.75,-6.77,;1.21,-6.77,;.44,-5.44,;1.21,-4.11,;2.75,-4.11,)|
SMILES:CN(C)C(=O)C(CC[N@+]1([O-])CC[C@](O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1 |wU:8.7,12.12,wD:8.8,12.16,(7.73,-3.9,;6.39,-3.13,;6.39,-1.59,;5.06,-3.9,;3.73,-3.13,;5.06,-5.44,;6.6,-5.44,;7.37,-6.77,;8.91,-6.77,;8.64,-8.29,;10.36,-7.3,;11.54,-6.31,;11.27,-4.79,;11.54,-3.28,;9.82,-4.27,;8.64,-5.26,;12.81,-4.79,;13.58,-3.46,;15.12,-3.46,;15.89,-4.79,;17.43,-4.79,;15.12,-6.13,;13.58,-6.13,;5.06,-6.98,;6.39,-7.75,;6.39,-9.29,;5.06,-10.06,;3.73,-9.29,;3.73,-7.75,;3.52,-5.44,;2.75,-6.77,;1.21,-6.77,;.44,-5.44,;1.21,-4.11,;2.75,-4.11,)|

市场产品/服务共显示1个结果

您无法确定哪种化合物库最适合您的项目？或者您需要定制解决方案？Anymole随时为您提供帮助。

电话：400820-0310

合作：info@screeningcompound.com

技术支持：tech@screeningcompound.com

客服：service@screeningcompound.com

正在加载 ~