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Atorvastatin Calcium Salt Trihydrate, TRC

Product Code. 30138458
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Product Code. 30138458 Supplier Toronto Research Chemicals Supplier No. TRCA7919081G

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Description

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

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Chemical Identifiers

CAS 344423-98-9
Formula Weight 1208.4846
InChI Formula InChI=1S/2C33H35FN2O5.Ca.3H2O/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;;;;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);;3*1H2/q;;+2;;;/p-2/t2*26-,27-;;;;/m11..../s1
IUPAC Name calcium;(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate;trihydrate
Molecular Formula 2 C33 H34 F N2 O5 . Ca . 3 H2 O
Molecular Weight (g/mol) 1209.39
Percent Purity >95%
SMILES O.O.O.[Ca+2].CC(C)c1c(C(=O)Nc2ccccc2)c(c3ccccc3)c(c4ccc(F)cc4)n1CC[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)[O-]
Synonym Atorvastatin calcium trihydrate, Calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate trihydrate, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt, hydrate (2:1:3), (βR,δR)-, 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), trihydrate, (βR,δR)- (9CI), Atorvastatin hemicalcium sesquihydrate, Atorvastatin hemicalcium trihydrate
Chemical Name or Material Atorvastatin Calcium Trihydrate
Grade HPLC
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