阿托伐他汀环钠盐(异丙基)杂质
[CAS# 1316291-19-6]

基本信息

• 产品名称: 阿托伐他汀环钠盐(异丙基)杂质
• 英文名: Atorvastatin Cyclic Sodium Salt (Isopropyl) Impurity
• 别名: 4-{6-(4-Fluorophenyl)-7,8-epoxy-6-hydroxy-8a-isopropyl-7-phenyl-8-(phenylcarbamoyl)hexahydro-2H -pyrrolo[2,1-b][1,3]oxazin-2-yl}-3-hydroxybutanoic acid sodium salt; Atorvastatin Cyclic Isopropyl Impurity; Atorvastatin Epoxy Pyrrolooxazin 6-Hydroxy Analog (USP); Atorvastatin Cyclic 6-Hydroxy Impurity
• 分子式: C₃₃H₃₄FN₂NaO₇
• 分子量: 612.62
• CAS 登录号: 1316291-19-6
• 分子行输入简码 SMILES: CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)[O-])O)(C4=CC=C(C=C4)F)O)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6.[Na+]
• 国际化学标识码 InChI: 1S/C33H35FN2O7.Na/c1-21(2)33-31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)32(41,23-13-15-24(34)16-14-23)36(33)18-17-27(42-33)19-26(37)20-28(38)39;/h3-16,21,26-27,37,41H,17-20H2,1-2H3,(H,35,40)(H,38,39);/q;+1/p-1
• 国际化学标识检索码 InChIKey: OWLRXFXFFHQDSQ-UHFFFAOYSA-M

物理化学性质

• 熔点: >150 (dec.)°C （实验值）
• 溶解度: Methanol (Slightly), Water (Slightly)