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Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide

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Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide

Atorvastatin N-(3,5-Dihydroxy-7-heptanoic Acid)amide

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For Research Use Only | Not For Clinical Use

CAT	APS1105067875
CAS	1105067-87-5
Structure
Synonyms	Calcium Bis[(3R,5R)-7-({(3R,5R)-7-[2-(4-Fluorophenyl)-3-Phenyl-4-(Phenylcarbamoyl)-5-(Propan-2-Yl)-1H-Pyrrol-1-Yl]-3,5-Dihydroxyheptanoyl}Amino)-3,5-Dihydroxyheptanoate]; DTXSID70747056; ACN-048511
IUPAC Name	calcium;(3R,5R)-7-[[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]amino]-3,5-dihydroxyheptanoate
Molecular Weight	1473.71
Molecular Formula	2C40H47FN3O8.Ca
Canonical SMILES	[Ca+2].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c5c(C(=O)Nc6ccccc6)c(c7ccccc7)c(c8ccc(F)cc8)n5CC[C@@H](O)C[C@@H](O)CC(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)[O-]
InChI	InChI=1S/2C40H48FN3O8.Ca/c21-25(2)38-37(40(52)43-29-11-7-4-8-12-29)36(26-9-5-3-6-10-26)39(27-13-15-28(41)16-14-27)44(38)20-18-31(46)22-32(47)23-34(49)42-19-17-30(45)21-33(48)24-35(50)51;/h23-16,25,30-33,45-48H,17-24H2,1-2H3,(H,42,49)(H,43,52)(H,50,51);/q;;+2/p-2/t2*30-,31-,32-,33-;/m11./s1

Accurate Mass	1472.632
Format	Neat
Subcategory	Pharmaceutical, Impurity standards, Chiral molecules, Statins and related drugs
Type	Impurity

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