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化合物简介
Isometronidazole is an impurity of Metronidazole, a chemotherapeutic agent that is used as a first line defense against Clostridium difficile (C.diff). Isometronidazole is also a hypoxic cell sensitizer in humans and mice.
基本信息
CAS:705-19-1
中文别名:2-(2-甲基-4-硝基-1-咪唑)-乙醇;
英文别名:R.P. 8979;Izoklion;1H-Imidazole-1-ethanol,2-methyl-4-nitro;2-methyl-4-nitroimidazole-1-ethanol;2-Methyl-4-nitro-1H-imidazole-1-ethanol;Isometronidazole;1-(2-hydroxyethyl)-2-methyl-4-nitro-1H-imidazole;2-(2-Methyl-4-nitro-imidazol-1-yl)-ethanol;2-(2-methyl-4-nitro-1H-imidazol-1-yl)ethanol;Imidazole-1-ethanol,2-methyl-4-nitro;
分子式:C6H9N3O3
分子量:171.154
精确质量:171.064
Psa:83.87
Logp:0.6152
中文别名:2-(2-甲基-4-硝基-1-咪唑)-乙醇;
英文别名:R.P. 8979;Izoklion;1H-Imidazole-1-ethanol,2-methyl-4-nitro;2-methyl-4-nitroimidazole-1-ethanol;2-Methyl-4-nitro-1H-imidazole-1-ethanol;Isometronidazole;1-(2-hydroxyethyl)-2-methyl-4-nitro-1H-imidazole;2-(2-Methyl-4-nitro-imidazol-1-yl)-ethanol;2-(2-methyl-4-nitro-1H-imidazol-1-yl)ethanol;Imidazole-1-ethanol,2-methyl-4-nitro;
分子式:C6H9N3O3
分子量:171.154
精确质量:171.064
Psa:83.87
Logp:0.6152
编号系统
UNII:0WI2PRW4QM
物化性质
密度:1.45 g/cm3
沸点:405.4ºC at 760 mmHg
闪点:199ºC
折射率:1.612
沸点:405.4ºC at 760 mmHg
闪点:199ºC
折射率:1.612
安全信息
生产方法及用途
合成路线
上游原料
下游产品
图谱
1H NMR : Predict

13C NMR : Predict
