| Melting point |
127-132 °C (lit.) |
| alpha |
D25 +292° (c = 0.5% in acetonitrile) |
| Boiling point |
564.9±50.0 °C(Predicted) |
| Density |
1.11±0.1 g/cm3(Predicted) |
| storage temp. |
2-8°C |
| solubility |
DMSO: ≥20mg/mL |
| pka |
13.49±0.40(Predicted) |
| form |
solid |
| color |
white |
| optical activity |
[α]/D +275±25°, c = 1 in acetonitrile |
| Merck |
14,8539 |
| Henry's Law Constant |
3.5×104 mol/(m3Pa) at 25℃, HSDB (2015) |
| BCS Class |
2 |
| Stability |
Stable for 2 years as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 2 months. |
| InChIKey |
RYMZZMVNJRMUDD-HGQWONQESA-N |
| SMILES |
[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(=O)O3)OC(=O)C(C)(C)CC |
| CAS DataBase Reference |
79902-63-9(CAS DataBase Reference) |
| NIST Chemistry Reference |
Simvastatin(79902-63-9) |
| EPA Substance Registry System |
Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester (79902-63-9) |
