S-Desmethyl-S-(2-hydroxy-2-methylpropyl) Rosuvastatin Calcium Salt
S-Desmethyl-S-(2-hydroxy-2-methylpropyl) Rosuvastatin Calcium Salt · CAS 1714147-47-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- S-Desmethyl-S-(2-hydroxy-2-methylpropyl) Rosuvastatin Calcium Salt
- CAS
- 1714147-47-3
- CID
- 71315656
- IUPAC 名称
- calcium bis((E,3R,5S)-7-[4-(4-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)sulfonyl-methylamino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- S-Desmethyl-S-(2-hydroxy-2-methylpropyl) Rosuvastatin Calcium Salt
- CAS
- 1714147-47-3
- CID
- 71315656
- IUPAC 名称
- calcium bis((E,3R,5S)-7-[4-(4-fluorophenyl)-2-[(2-hydroxy-2-methylpropyl)sulfonyl-methylamino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate)
分子属性
- 分子式
- C50H66CaF2N6O14S2
- 分子量
- 1117.3 g/mol
- 精确质量
- 1116.3672403 Da
- 单同位素质量
- 1116.3672403 Da
- XLogP
- 暂无
- 极性表面积
- 345 Ų
- 氢键供体
- 6
- 氢键受体
- 22
- 可旋转键
- 22
- 重原子数
- 75
- 净电荷
- 0
- 结构复杂度
- 866
结构标识
- InChIKey
- SMYOVFJEKJPZQC-YFPLZLEBSA-L
- SMILES
- CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)CC(O)(C)C)C)C.CC(C1=NC(=NC(=C1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])C2=CC=C(C=C2)F)N(S(=O)(=O)CC(O)(C)C)C)C.[Ca+2]
- InChI
- InChI=1S/2C25H34FN3O7S.Ca/c2*1-15(2)22-20(11-10-18(30)12-19(31)13-21(32)33)23(16-6-8-17(26)9-7-16)28-24(27-22)29(5)37(35,36)14-25(3,4)34;/h2*6-11,15,18-19,30-31,34H,12-14H2,1-5H3,(H,32,33);/q;;+2/p-2/b2*11-10+;/t2*18-,19-;/m11./s1