化工社化工社 化学情報印刷レポート · 研究参考用
(3R,5R)-7-(((3R,5R)-7-(2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoyl)amino)-3,5-dihydroxyheptanoic acid
ATV imp F · AtorvastatinEPImpurity-F · Atorvastatin Amide Impurity · Atorvastatin EP Impurity F Sodium Salt · Atorvastatin Calcium Hydrate impurity F · Atorvastatin IMpurity F (AMide IMpurity) SodiuM Salt · (3R,5R)-7-((3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanamido)-3,5-dihydroxyheptanoic aci · (3R,5R)-7-[[(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoyl]amino]-3,5-dihydroxyheptanoic acid

識別子と物理属性
| CAS No. | 887196-24-9 |
|---|---|
| 分子式 | C40H48FN3O8 |
| 平均分子量 | 717.835 g/mol |
| 単同位体質量 | 717.34254372 g/mol |
| SMILES | CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)NCC[C@@H](O)C[C@@H](O)CC(=O)O |
| InChIKey | UNBQUGGVWQTSGG-XEXPGFJZSA-N |
| PubChem CID | 57831782 |
| DTXSID | DTXSID20237275 |
化学・物理的性質
| 沸点 | 934.8±65.0 °C(Predicted) |
|---|---|
| 密度 | 1.28±0.1 g/cm3(Predicted) |
| pKa(酸解離定数) | 4.30±0.10(Predicted) |