ABC00220WR

Atorvastatin tert-Butyl Ester

Atorvastatin tert-Butyl Ester is a fluorinated pyrrole-lactone derivative featuring a sterically hindered tert-butyl ester group appended to the hydroxyl-bearing carbon of the Atorvastatin scaffold. The esterification introduces a branched, hydrophobic tert-butyl moiety, which modulates solubility and metabolic stability while retaining the core pharmacophoric elements of the parent compound. Structurally, it retains the 2-(4-fluorophenyl)-3-methyl-4-phenyl-1H-pyrrole-1,3(2H)-dione framework, with the ester linkage positioned at the ฮฒ-hydroxy acid functionality. This compound arises as a synthetic byproduct during Atorvastatin esterification steps, serving as a critical impurity reference standard for HPLC-based purity analysis in drug substance characterization.

On Request
Molecular Formula C37H43FN2O5
Molecular Weight 614.7000
CAS Number 134395-00-9 โœ“ Verified
PubChem CID 11238911 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Atorvastatin
Lead Time On Request
IUPAC Name tert-butyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
Official Reference Standards
Std Catalog # Quantity Price
USP 1A00830 โ†— 25 mg USD 936.00

๐Ÿ“ Synonyms

134395-00-9 Atorvastatin tert-Butyl Ester (3R,5R)-tert-Butyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate DTXSID30459683 (3R,5R)-tert-Butyl 7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate RefChem:560325 DTXCID80410502 603-817-6 C37H43FN2O5 MFCD09839952

๐Ÿ”ฌ Chemical Identifiers

CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)OC(C)(C)C)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI=1S/C37H43FN2O5/c1-24(2)34-33(36(44)39-28-14-10-7-11-15-28)32(25-12-8-6-9-13-25)35(26-16-18-27(38)19-17-26)40(34)21-20-29(41)22-30(42)23-31(43)45-37(3,4)5/h6-19,24,29-30,41-42H,20-23H2,1-5H3,(H,39,44)/t29-,30-/m1/s1
GCPKKGVOCBYRML-LOYHVIPDSA-N

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