6 alpha-naloxol
- Product Name6 alpha-naloxol
- CAS20410-95-1
- MFC19H23NO4
- MW329.394
- EINECS
- MOL File20410-95-1.mol
Chemical Properties
| Melting point | 200-201 °C |
| Boiling point | 532.5±50.0 °C(Predicted) |
| Density | 1.43±0.1 g/cm3(Predicted) |
| storage temp. | -20°C |
| solubility | DMF: 30 mg/mL; DMSO: 30 mg/mL; Ethanol: 10 mg/mL |
| form | A crystalline solid |
| pka | 9.39±0.60(Predicted) |
| Major Application | forensics and toxicology |
| InChI | 1S/C19H23NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,13-14,17,21-23H,1,5-10H2/t13-,14+,17-,18-,19+/m0/s1 |
| InChIKey | HMWHERQFMBEHNG-AQQQZIQISA-N |
| SMILES | OC1=C(O2)C([C@]([C@@H]2[C@@H](O)CC3)(CCN4CC=C)[C@]3(O)[C@H]4C5)=C5C=C1 |
Safety Information
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Aquatic Chronic 3 Flam. Liq. 2 STOT SE 1 |