Acetyl simvastatin
Modify Date: 2025-08-25 18:01:40
Acetyl simvastatin structure
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Common Name | Acetyl simvastatin | ||
|---|---|---|---|---|
| CAS Number | 145576-25-6 | Molecular Weight | 460.603 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 575.2±50.0 °C at 760 mmHg | |
| Molecular Formula | C27H40O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 243.2±30.2 °C | |
Use of Acetyl simvastatin4-Acetylsimvastatin is an acetylated simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[1]. |
| Name | [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-acetyloxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate |
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| Synonym | More Synonyms |
| Description | 4-Acetylsimvastatin is an acetylated simvastatin. Simvastatin is a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM[1]. |
|---|---|
| Related Catalog | |
| References |
[1]. Brian Morgan, ey al. Methods for Making Simvastatin and Intermediates. US20110059493A1. |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 575.2±50.0 °C at 760 mmHg |
| Molecular Formula | C27H40O6 |
| Molecular Weight | 460.603 |
| Flash Point | 243.2±30.2 °C |
| Exact Mass | 460.282501 |
| PSA | 78.90000 |
| LogP | 5.31 |
| Vapour Pressure | 0.0±1.6 mmHg at 25°C |
| Index of Refraction | 1.520 |
| InChIKey | OHVWRJDVJRNCPE-BIKFJBPRSA-N |
| SMILES | CCC(C)(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(OC(C)=O)CC(=O)O3)C21 |
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~97%
Detail
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| Literature: WO2005/40107 A2, ; Page/Page column 41-43; 80-82 ; |
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~97%
Acetyl simvastatin CAS#:145576-25-6 |
| Literature: DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 31; 61 ; |
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Detail
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| Literature: WO2005/40107 A2, ; Page/Page column 51-53 ; |
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~43%
Acetyl simvastatin CAS#:145576-25-6
Detail
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| Literature: WO2005/40107 A2, ; Page/Page column 45; 83 ; |
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~85%
Acetyl simvastatin CAS#:145576-25-6 |
| Literature: DIVERSA CORPORATION Patent: WO2005/40107 A2, 2005 ; Location in patent: Page/Page column 66; 68 ; |
CAS#:79902-63-9
CAS#:121009-77-6| (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-Acetoxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-1-naphthalenyl 2,2-dimethylbutanoate |
| Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-(acetyloxy)tetrahydro-6-oxo-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester |
| 4'-Acetyl Simvastatin |
| Acetyl simvastatin |
| Simvastatin EP Impurity B |
| Simvastatin Impurity 2 |