1105067-93-3

Basic information

• Product Name: 2,3-Dehydroxy Atorvastatin Sodium Salt
• Synonyms: 2,3-Dehydroxy Atorvastatin Sodium Salt;(2E)-2,3-Dehydroxy Atorvastatin;Atorvastatin 3-Deoxy-Hept-2-Enoic Acid;(S,E)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H- pyrrol-1-yl]-5-hydroxyhept-2-enoic acid sodium salt;Atorvastatin Impurity N;(2E)-2,3-Dehydroxy Atorvastation
• CAS NO: 1105067-93-3
• Molecular Formula: C₃₃H₃₃FN₂O₄
• Molecular Weight: 540.62
• EINECS: 604-604-1
• Mol File: 1105067-93-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 125-130 °C
• Boiling Point: 705.7±60.0 °C(Predicted)
• Appearance: /
• Density: 1.18±0.1 g/cm3(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 4.62±0.10(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: 2,3-Dehydroxy Atorvastatin Sodium Salt(CAS DataBase Reference)
• NIST Chemistry Reference: 2,3-Dehydroxy Atorvastatin Sodium Salt(1105067-93-3)
• EPA Substance Registry System: 2,3-Dehydroxy Atorvastatin Sodium Salt(1105067-93-3)

Safety Data

• Hazardous Substances Data: 1105067-93-3(Hazardous Substances Data)

Usage

Uses

(2E)-2,3-Dehydroxy Atorvastatin (Atorvastatin 3-Deoxy-hept-2-enoic Acid Sodium Salt (USP)) is an impurity in the synthesis of Atorvastatin (A791750).

Upstream product

• 345891-62-5 (3R,5R)-methyl 7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate 

Relevant articles and documents

Synthesis of some impurities and/or degradation products of atorvastatin

Synthesis of some impurities and/or degradation products of atorvastatin, calcium (3R,5R)-7-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl) pyrrol-1-yl]-3,5-dihydroxyheptanoate, is described. These include its desfluoro analog, the corresponding (3S,5S)-and (3S,5R)-epimers, atorvastatin lactone, and some other potential impurities. The synthesized compounds as well as the corresponding intermediates were characterized by 1H NMR, 13C NMR and MS.