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2-羟基阿托伐他汀-d5缩丙酮叔-丁酯
tert-butyl 2-[(4R,6R)-6-[2-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate
化合物简介
A deuterated intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
基本信息
CAS：265989-42-2
中文别名：
英文别名：(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid,tert-Butyl Ester;(4R,6R)-6-[2-[2-(4-Fluorophenyl)-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester-d5;
分子式：C40H42D5FN2O6
分子量：675.84
精确质量：675.373
Psa：102.51
Logp：9.4586
中文别名：
英文别名：(6-{2-[2-(4-Fluoro-phenyl)-4-(2-hydroxy-phenylcarbamoyl)-5-isopropyl-3-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid,tert-Butyl Ester;(4R,6R)-6-[2-[2-(4-Fluorophenyl)-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester-d5;
分子式：C40H42D5FN2O6
分子量：675.84
精确质量：675.373
Psa：102.51
Logp：9.4586
编号系统
物化性质
安全信息
生产方法及用途
合成路线
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参考文献
Chen, Bang-Chi; Sundeen, Joseph E.; Guo, Peng; Bednarz, Mark S.; Hangeland, Jon J.; Ahmed, Syed Z.; Jemal, Mohammed Journal of Labelled Compounds and Radiopharmaceuticals, 2000 , vol. 43, # 3 p. 261 - 270
上游原料
下游产品
图谱
1H NMR : Predict
13C NMR : Predict
