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(δS)-2-(4-Fluorophenyl)-δ-hydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid
5-Dehydroxy (3S)-Atorvastatin · 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-δ-hydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, (δS)-
![(δS)-2-(4-Fluorophenyl)-δ-hydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic acid の分子構造式](/img/chemical/57831776.png)
識別子と物理属性
| CAS No. | 887196-26-1 |
|---|---|
| 分子式 | C33H35FN2O4 |
| 平均分子量 | 542.651 g/mol |
| 単同位体質量 | 542.25808582 g/mol |
| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)CCCC(=O)O |
| InChIKey | FXHZSTVKUASKCJ-MHZLTWQESA-N |
| PubChem CID | 57831776 |
| DTXSID | DTXSID701106862 |
化学・物理的性質
| 沸点 | 675.2±55.0 °C(Predicted) |
|---|---|
| 密度 | 1.19±0.1 g/cm3(Predicted) |
| pKa（酸解離定数） | 4.68±0.10(Predicted) |
用途
使用
5-Dehydroxy (3S)-Atorvastatin is an impurity of Atorvastatin (A791750), which is a drug used for lowering both elevated LDL-cholesterol and triglyceinhibitorrides in patients with hypercholesterolemia. Atorvastatin is a selective, competitive HMG-CoA reductase inhibitor.