ABC00222CH

Atorvastatin 2-Fluoro t-Butyl Ester

Atorvastatin 2-Fluoro t-Butyl Ester is a structurally modified derivative of atorvastatin, featuring a fluoro-substituted t-butyl ester at the 2-position of the pyrrole ring. This substitution introduces a fluorine atom adjacent to the ester functionality, altering the compound's lipophilicity and metabolic stability compared to the parent drug. The molecule retains the core hydrogenated naphthalene and delta-lactone rings characteristic of atorvastatin. The fluoro-t-butyl ester moiety serves as a synthetic intermediate or degradation analog, specifically utilized as an HPLC reference standard for quantifying process-related impurities in atorvastatin active pharmaceutical ingredient (API) batches.

On Request
Molecular Formula C40H47FN2O5
Molecular Weight 654.8000
CAS Number 1099474-28-8 โœ“ Verified
PubChem CID 22959852 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Atorvastatin
Lead Time On Request
IUPAC Name tert-butyl 2-[(4R,6R)-6-[2-[2-(2-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

๐Ÿ“ Synonyms

1099474-28-8 tert-butyl 2-[(4R,6R)-6-[2-[2-(2-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate 2-Fluoro Atorvastatin tert-Butyl Ester (4R,6R)-6-[2-[2-(2-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester SCHEMBL5494131 tert-butyl 2-((4R,6R)-6-(2-(2-(2-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)ethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

๐Ÿ”ฌ Chemical Identifiers

CC(C)C1=C(C(=C(N1CC[C@@H]2C[C@@H](OC(O2)(C)C)CC(=O)OC(C)(C)C)C3=CC=CC=C3F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5
InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-28-18-12-9-13-19-28)34(27-16-10-8-11-17-27)37(31-20-14-15-21-32(31)41)43(36)23-22-29-24-30(47-40(6,7)46-29)25-33(44)48-39(3,4)5/h8-21,26,29-30H,22-25H2,1-7H3,(H,42,45)/t29-,30-/m1/s1
DKLDCYSMISEWEJ-LOYHVIPDSA-N

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