CAS: 847849-66-5; (3R,5S,E)-3,5-Dihydroxy-7-(4-Isopropyl-2-(N-Methylmethylsulfonamido)-6-Phenylpyrimidin-5-yl)Hept-6-Enoic Acid

• 英文名称(3R,5S,E)-3,5-Dihydroxy-7-(4-Isopropyl-2-(N-Methylmethylsulfonamido)-6-Phenylpyrimidin-5-yl)Hept-6-Enoic Acid
• 中文名称去氟罗舒伐他汀钙盐
• IUPAC名称(3R,5S,E)-3,5-dihydroxy-7-(4-isopropyl-2-(N-methylmethylsulfonamido)-6-phenylpyrimidin-5-yl)hept-6-enoic acid
• 其它别名Desfluoro Rosuvastatin Sodium Salt; Desfluoro Rosuvastatin Calcium Salt; 6-Heptenoic Acid, 3,5-Dihydroxy-7-[4-(1-Methylethyl)-2-[methyl(Methylsulfonyl)Amino]-6-Phenyl-5-Pyrimidinyl]-, (3R,5S,6E)-; Rosuvastatin Impurity 56 Sodium Salt; Rosuvastatin Desfluoro Ca (Acid); Rosuvastatin Impurity 24/desfluoro Rosuvastatin Calcium Salt/(3R,5S,6E)-7-[4-Phenyl-6-(1-Methylethyl)-2-[methyl (Methyl Sulfonyl)Amino]-5-Pyrimidinyl]-3,5-Dihydroxy- 6-Heptenoic Acid Calcium Salt; Desfluoro Rosuvastatin; Calcium(3R,5S,E)-3,5-Dihydroxy-7-(4-Isopropyl-2-(N-Methylmethylsulfonamido)-6-Phenylpyrimidin-5-Yl)Hept-6-Enoate
• CAS编号847849-66-5
• MFCD编号:MFCD28138362
• FDA UNII编号:9XL7873TAJ
• 分子式:C22H29N3O6S分子量:463.56
• 产品CID: 1838088

• 相似结构搜索
• InChIKey: BOYSKIOKEBCJKF-XXRWXEQKSA-N
• InChI=1S/C22H29N3O6S/c1-14(2)20-18(11-10-16(26)12-17(27)13-19(28)29)21(15-8-6-5-7-9-15)24-22(23-20)25(3)32(4,30)31/h5-11,14,16-17,26-27H,12-13H2,1-4H3,(H,28,29)/b11-10+/t
• 计算化学: 氢键受体数*氢键供体数*可旋转键数*

物理性质

• 沸点743.6±70.0 °C(预测)
• 密度1.333±0.06 g/cm3(预测)
• pKa:4.25±0.10(预测)
• PSA:149.3
• LogP:3.3434

MSDS等安全信息

• 警示词Danger
• 危险描述H351-H360-H412-
• 防范说明P201-P202-P273-P281-P308+P313-P405-P501-
• 安全声明CAUT

合成工艺路线路线简述

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2902200000-苯
  2905122000-异丙醇
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• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管