Naltrexone-3-glucuronide
- Product NameNaltrexone-3-glucuronide
- CAS76630-71-2
- CBNumberCB2113294
- MFC26H31NO10
- MW517.53
- MDL NumberMFCD00878773
- MOL File76630-71-2.mol
Chemical Properties
| Melting point: | >132°C (dec.) |
| Boiling point: | 807.661±65.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.656±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| solubility | Methanol (Slightly) |
| form | Solid |
| pka | 2.771±0.70(predicted) |
| color | Off-White to Pale Beige |
| Major Application | forensics and toxicology |
| InChIKey | KCSKQJYZSCIQRR-ODTDCTFRSA-N |
| SMILES | N2([C@H]3[C@]4([C@@]5([C@@H](Oc6c5c(ccc6O[C@@H]7O[C@@H]([C@H]([C@@H]([C@H]7O)O)O)C(=O)O)C3)C(=O)CC4)CC2)O)CC1CC1 |
Safety
| Symbol(GHS) |
   GHS02,GHS06,GHS08 |
| Signal word | Danger |
| Hazard statements | H225-H301+H311+H331-H370 |
| Precautionary statements | P210-P233-P280-P301+P310-P303+P361+P353-P304+P340+P311 |
| target organs | Eyes,Central nervous system |
| WGK Germany | WGK 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications |
Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1 |