476305-24-5

Basic information

• Product Name: Simvastatin Dimer
• Synonyms: Simvastatin Dimer;Simvastatin Impurity;Simvastatin Impurity D;Simvastatin Dimer Impurity;Simvastatin EP Impurity D;(3R,5R)-(2R,4R)-2-(2-((1S,2S,6R,8S)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)-6-oxotetrahydro-2H-pyran-4-yl 7-((2S,6R,8S)-8-((2,2-dimethylbutanoyl)oxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-d
• CAS NO: 476305-24-5
• Molecular Formula: C₅₀H₇₆O₁₀
• Molecular Weight: 837.13
• Product Categories: Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Chiral Reagents;Heterocycles;Impurities
• Mol File: 476305-24-5.mol
• Article Data: 2

Chemical Properties

• Melting Point: 170-180?C
• Boiling Point: 882.067°C at 760 mmHg
• Flash Point: 245.705°C
• Appearance: /
• Density: 1.141g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.547
• Storage Temp.: Hygroscopic, -20°C Freezer, Under Inert Atmosphere
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• PKA: 14.01±0.20(Predicted)
• Stability: Hygroscopic
• CAS DataBase Reference: Simvastatin Dimer(CAS DataBase Reference)
• NIST Chemistry Reference: Simvastatin Dimer(476305-24-5)
• EPA Substance Registry System: Simvastatin Dimer(476305-24-5)

Safety Data

• Safety Statements: 24/25
• Hazardous Substances Data: 476305-24-5(Hazardous Substances Data)

Usage

Description

Simvastatin Dimer, also known as Simvastatin EP Impurity D, is an impurity of Simvastatin, a widely used cholesterol-lowering drug. It is formed during the synthesis process of Simvastatin and is characterized by its distinct chemical structure and properties.

Uses

Simvastatin Dimer is primarily used as an impurity reference material in the pharmaceutical industry. It serves as a critical component in the quality control and assurance processes of Simvastatin manufacturing. By analyzing and monitoring the presence and levels of Simvastatin Dimer in the final product, manufacturers can ensure the purity, safety, and efficacy of Simvastatin.
Used in Pharmaceutical Industry:
Simvastatin Dimer is used as an impurity reference material for the quality control and assurance of Simvastatin manufacturing processes. It helps in ensuring the purity, safety, and efficacy of the final product by monitoring the presence and levels of this impurity in the synthesized drug.

InChI:InChI=1/C50H76O10/c1-11-49(7,8)47(55)59-41-23-29(3)21-33-15-13-31(5)39(45(33)41)19-17-35(51)25-36(52)26-43(53)58-38-27-37(57-44(54)28-38)18-20-40-32(6)14-16-34-22-30(4)24-42(46(34)40)60-48(56)50(9,10)12-2/h13-16,21-22,29-32,35-42,45-46,51-52H,11-12,17-20,23-28H2,1-10H3/t29-,30-,31-,32-,35+,36+,37+,38+,39-,40-,41-,42-,45-,46-/m0/s1

Upstream product

• 121009-77-6 simvastatin acid 
• 123049-81-0 simvastatin 
• 139893-43-9 simvastatin ammonium salt 

Relevant articles and documents

Method for synthesizing simvastatin impurity D

The invention provides a method for synthesizing a simvastatin impurity D. The method comprises the following steps: by taking easily available raw material medicine simvastatin as an initial raw material, firstly carrying out ring opening on lactone, then protecting two hydroxyl groups in a molecule by using acetonylidene, and condensing an obtained intermediate with another molecule raw material medicine simvastatin, and finally, removing the protecting group acetone by using hydrochloric acid to obtain the simvastatin impurity D. According to the method, the simvastatin which is cheap and easy to obtain is taken as a starting raw material, a final target product is obtained through four-step reaction, the whole reaction route is simple and economical, and has very high practical value, and a relatively large amount of preparation can be carried out for guiding production; meanwhile, the blank of no report about the synthesis method of the compound up to now is filled.