CAS 148127-12-2 Atorvastatin Lactam Phenanthrene Calcium Salt Impurity (mixture of diastereomers)

CAT	APS148127122
CAS	148127-12-2
Structure
IUPAC Name	calcium;(3R,5R)-7-[9-fluoro-2-oxo-3-(phenylcarbamoyl)-3-propan-2-ylphenanthro[9,10-b]pyrrol-1-yl]-3,5-dihydroxyheptanoate
Molecular Weight	1183.31
Molecular Formula	2C33H32FN2O6.Ca
Canonical 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/c21-19(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;/h23-13,16,19,22-23,37-38H,14-15,17-18H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*22-,23-,33?;/m11./s1

Accurate Mass	1182.4115
Format	Neat
Subcategory	Chiral molecules, Impurity standards, Statins and related drugs
Type	Impurity

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