1300037-86-8
| Name | Tapentadol O-β-D-Glucuronide |
| CAS | 1300037-86-8 |
| Molecular Formula | C20H31NO7 |
| MDL Number | MFCD21363883 |
| Molecular Weight | 397.463 |
| MOL File | 1300037-86-8.mol |
Chemical Properties
| Melting point | >170°C (dec.) |
| Boiling point | 587.185±50.00 °C(Press: 760.00 Torr)(predicted) |
| density | 1.280±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted) |
| Fp | 13℃ |
| storage temp. | Hygroscopic, -20°C Freezer, Under Inert Atmosphere |
| solubility | Methanol (Slightly), Water (Slightly) |
| form | Solid |
| pka | 2.793±0.70(predicted) |
| color | White to Off-White |
| Major Application | forensics and toxicology |
| InChIKey | CTYJDHSTNLOUMT-PJOQTPGLSA-N |
| SMILES | CC[C@H]([C@@H](C)CN(C)C)c1cccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)c1 |
Safety Data
| Symbol(GHS) |   GHS02,GHS07 |
| Signal word | Danger |
| Hazard statements | H225-H302-H319 |
| Precautionary statements | P210-P305+P351+P338 |
| Hazard Codes | F,Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 1648 3 / PGII |
| WGK Germany | 2 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |