Atorvastatin Related Compound A Chemical Properties

Melting point:

150℃ (decomposition)

storage temp. 

2-8°C

solubility 

DMSO (Slightly), Methanol (Slightly)

Stability:

Hygroscopic

Major Application

pharmaceutical small molecule

InChIKey

HBFCHKRJRYFUBH-QXFSHCJSNA-M

SMILES

c1(-c2ccccc2)c(C(=O)Nc2ccccc2)c(C(C)C)[n](CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1-c1ccccc1.[Ca+2] |&1:24,27,r|

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26

WGK Germany 

WGK 2

HS Code 

2933997500

Storage Class

11 - Combustible Solids

Hazard Classifications

Aquatic Chronic 2
STOT RE 2

Atorvastatin Related Compound A Usage And Synthesis

Uses

Desfluoro Atorvastatin is an impurity in the synthesis of Atorvastatin (A791750), a selective, competitive HMG-CoA reductase inhibitor. Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.

Synthesis

Transfer [R,(R*,R*)]-2-(4-fluorophenyl)-??,??-dihydroxy-5-(1-methylethyl)-3-phenyl-[(anilino)-hydroxy]-1H-pyrrole-1-heptanoic acid sodium salt solution into 10L clean and dry kettle, and then add 3L of methanol into the kettle, and raise the temperature to 60 ??-65 ??, and slowly add calcium acetate solution by dripping slowly through the constant-pressure dropping funnel (Calcium acetate The solution was prepared by mixing 150g of calcium acetate monohydrate with 700ml of purified water and 700ml of methanol). At the end of the addition, keep warm and stir at 60??-65?? for 2 hours. Stopped heating, cooled to 5 ?? -10 ??, holding and stirring for 1 hour. Extract and filter to get white filter cake, which is the crude atorvastatin calcium. The atorvastatin calcium condensate was dissolved with mobile phase and loaded on a chromatographic column, and then separated by mobile phase elution, the eluate was collected in segments, the eluate containing defluorinated atorvastatin calcium was concentrated to dryness under reduced pressure, the concentrate was dissolved by adding ethyl acetate and washed with saturated citric acid, and the organic phase was concentrated to dryness under reduced pressure to obtain a white foamy solid with a purity of 99.6%, after plasma-park detection MS(ESI). [M+H]+:855, which is defluorinated atorvastatin calcium.

Atorvastatin Related Compound A(433289-83-9)Related Product Information

• Atorvastatin IMpurity 8
• (1R,3S)-1-(1,3-Benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic Acid Methyl Ester
• Atorvastatin IMpurity 3
• Atorvastatin Acetonide
• N,3-Diphenyl-2-(2-methyl-1-oxopropyl)4-oxo-N-benzenebutanamide (Mixture of Diastereomers)
• Atorvastatin Impurity 16
• 3S, 5S enantioMer of Atorvastatin CalciuM
• Atorvastatin Impurity 22
• Atorvastatin IMpurity 6
• Dihydroxy Diketo Atorvastatin IMpurity
• O-Methyl Atorvastatin Calcium Salt
• Atorvastatin Impurity 10
• Atorvastatin Lactum Calcium Salt Impurity
• Difluoro Atorvastatin Acetonide tert-Butyl Ester
• 2-[1,2-Bis-(4-fluoro-phenyl)-2-oxo-ethyl]-4-methyl-3-oxo-pentanoic acid phenylamide
• 2,3-Dehydroxy Atorvastatin Sodium Salt
• Atorvastatin Dehydro Lactone
• Atorvastatin Impurity 20