Atorvastatin Lactam Phenanthrene Calcium Salt Impurity (mixture of diastereomers)

分析物名称

(3R,5R)-7-[9-fluoro-2-oxo-3-(phenylcarbamoyl)-3-propan-2-ylphenanthro[9,10-b]pyrrol-1-yl]-3,5-dihydroxyheptanoate calcium salt

CAS登记号

148127-12-2

分子式

2 C33 H32 F N2 O6 . Ca

分子量

1183.31

精确质量测定

1182.4115

SMILES

[Ca+2].CC(C)C1(C(=O)Nc2ccccc2)C(=O)N(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c3c1c4ccccc4c5cc(F)ccc35.CC(C)C6(C(=O)Nc7ccccc7)C(=O)N(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c8c6c9ccccc9c%10cc(F)ccc8%10

InChI

InChI=1S/2C33H33FN2O6.Ca/c2*1-19(2)33(31(41)35-21-8-4-3-5-9-21)29-25-11-7-6-10-24(25)27-16-20(34)12-13-26(27)30(29)36(32(33)42)15-14-22(37)17-23(38)18-28(39)40;/h2*3-13,16,19,22-23,37-38H,14-15,17-18H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*22-,23-,33?;/m11./s1

IUPAC

calcium;(3R,5R)-7-[9-fluoro-2-oxo-3-(phenylcarbamoyl)-3-propan-2-ylphenanthro[9,10-b]pyrrol-1-yl]-3,5-dihydroxyheptanoate

备用CAS登记号

Free acid: 745763-42-2

存储温度

+4°C

运输温度

Room Temperature

原产国

CANADA

产品类型

Impurity

产品形式

Neat

API家族

Atorvastatin Calcium Salt