HuagongsheHuagongshe Chemistry Print Report · For research reference only
ent-Atorvastatin
Atorvastatin EP Impurity E · S,S-Atorvastatin · Atorvastatin lysine · ent-Atorvastatin Sodium · 3S,5S-Atorvastatin Sodium · S,S-Atorvastatin Sodium Salt · (3S,5S)-7-(2-(4-fluorophenyl)- · (3S,5S)-Atorvastatin Sodium Salt
Identifiers & Physical Properties
| CAS No. | 110862-48-1 |
|---|---|
| Molecular formula | C33H35FN2O5 |
| Average molar mass | 558.6 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)O |
| InChIKey | XUKUURHRXDUEBC-SVBPBHIXSA-N |
| PubChem CID | 62976 |
| EC No. | 111-912-4 |
| DTXSID | DTXSID60274003 |
Chemical & Physical Properties
| XLogP | 5 |
|---|---|
| Topological polar surface area | 112 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 12 |
| Heavy atoms | 41 |
| Formal charge | 0 |
| Complexity | 822 |
| Melting point | 182-184°C |
| Storage conditions | -20°C Freezer |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| Color | White |
| Stability | Hygroscopic |
| FDA UNII | U2H272PQ8B |
Safety & Regulations
| GHS classification | WarningH361f (100%): Suspected of damaging fertility [Warning Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Repr. 2 (100%) |
Applications & Uses
Uses
(3S,5S)-Atorvastatin Sodium Salt (Atorvastatin EP Impurity E) is a selective, competitive HMG-CoA reductase inhibitor. The only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.