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| | Atorvastatin Related Compound A Basic information |
| Product Name: | Atorvastatin Related Compound A | | Synonyms: | Atorvastatin EP IMpurity A;Desfluoro Atorvastatin Calcium Salt;(betaR,deltaR)-beta,delta-Dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid calcium salt (2:1);Atorvastatin Impurity A;(βR,δR)-β,δ-Dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid hemicalcium salt;Calcium (3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl)h;ATORVASTATIN DESFLUORO IMPURITY;Atorvastatin USP Related Compound A | | CAS: | 433289-83-9 | | MF: | C33H35CaN2O5+ | | MW: | 579.7194 | | EINECS: | | | Product Categories: | | | Mol File: | 433289-83-9.mol |  |
| | 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| |
| 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 Preparation Products And Raw materials |
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