Introduction：Basic information about CAS 345891-62-5|Atorvastatin methyl ester, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Atorvastatin methyl ester |
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| CAS Number | 345891-62-5 | Molecular Weight | 572.66600 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C34H37FN2O5 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | methyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate |
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| Synonym | More Synonyms |
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Atorvastatin methyl ester BiologicalActivity
| Description | Atorvastatin methyl ester (Compound 2a) is a methyl esterified derivative of Atorvastatin. Atorvastatin methyl ester inhibits the 9-cis-RA-induced Gal4 reporter activity more strongly than Atorvastatin[1]. |
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| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Metabolic Disease |
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| References | [1]. Wang X, et al. Discovery of atorvastatin as a tetramer stabilizer of nuclear receptor RXRα through structure-based virtual screening. Bioorg Chem. 2019 Apr;85:413-419. |
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Chemical & Physical Properties
| Molecular Formula | C34H37FN2O5 |
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| Molecular Weight | 572.66600 |
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| Exact Mass | 572.26900 |
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| PSA | 100.79000 |
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| LogP | 6.47500 |
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| Index of Refraction | 1.653 |
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| InChIKey | IRKGCTGBOBRSMG-VSGBNLITSA-N |
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| SMILES | COC(=O)CC(O)CC(O)CCn1c(-c2ccc(F)cc2)c(-c2ccccc2)c(C(=O)Nc2ccccc2)c1C(C)C |
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Safety Information
Customs
| HS Code | 2933990090 |
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| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| methylester of atorvastatin |
| atorvastatin methyl ester |
| Atorvastatin Impurity 6 |
