ABC00235JF

Atorvastatin FX1 Impurity (Atorvastation epoxy pyrrolooxazin 7-hydroxy analog

Atorvastatin FX1 Impurity is a structurally modified analog of atorvastatin featuring an epoxide bridge and a fused pyrrolooxazin heterocycle, with a hydroxyl group at the 7-position of the pyrrole ring. This impurity arises from oxidative rearrangement of the parent drug's lactone core, incorporating a sodium counterion from carboxylic acid deprotonation. The epoxy functionality and pyrrolooxazin moiety confer distinct spectroscopic and chromatographic properties. It serves as an HPLC reference standard for quantifying synthetic byproducts in atorvastatin drug substance analysis.

On Request
Molecular Formula C33H34FN2NaO7
Molecular Weight 612.6000
CAS Number 1315629-79-8 ✓ Verified
PubChem CID 71313522 ↗
Purity N/A
Product Type API Impurity
Parent Drug Atorvastatin
Lead Time On Request
IUPAC Name sodium 4-[1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-3,10-dioxa-6-azatricyclo[4.4.0.02,4]decan-9-yl]-3-hydroxybutanoate

📝 Synonyms

sodium;4-[1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-3,10-dioxa-6-azatricyclo[4.4.0.02,4]decan-9-yl]-3-hydroxybutanoate Sodium;4-(1-(4-fluorophenyl)-5-hydroxy-2-phenyl-4-(phenylcarbamoyl)-5-propan-2-yl-3,10-dioxa-6-azatricyclo(4.4.0.02,4)decan-9-yl)-3-hydroxybutanoate RefChem:888051 876-099-7 ATV-FX1 sodium salt 1315629-79-8 Atorvastatin Cyclic (Fluorophenyl) Sodium Salt Impurity 1b-(4-Fluorophenyl)hexahydro-ss,7-dihydroxy-7-(1-methylethyl)-1a-phenyl-7a-[(phenylamino)carbonyl]-3H-oxireno[3,4]pyrrolo[2,1-b][1,3]oxazine-3-butanoic Acid Sodium Salt (1:1) DTXSID90747058 MFCD28899177

🔬 Chemical Identifiers

CC(C)C1(C2(C(O2)(C3(N1CCC(O3)CC(CC(=O)[O-])O)C4=CC=C(C=C4)F)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6)O.[Na+]
InChI=1S/C33H35FN2O7.Na/c1-21(2)32(41)31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)33(23-13-15-24(34)16-14-23)36(32)18-17-27(42-33)19-26(37)20-28(38)39;/h3-16,21,26-27,37,41H,17-20H2,1-2H3,(H,35,40)(H,38,39);/q;+1/p-1
SJDGRTRCGRODGR-UHFFFAOYSA-M

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