1300037-87-9
| Name | Tapentadol O-Sulfate |
| CAS | 1300037-87-9 |
| EINECS(EC#) | 200-659-6 |
| Molecular Formula | C14H23NO4S |
| MDL Number | MFCD21363884 |
| Molecular Weight | 301.4 |
| MOL File | 1300037-87-9.mol |
Chemical Properties
| density | 1.178±0.06 g/cm3(Predicted) |
| Fp | 9℃ |
| storage temp. | -20°C |
| form | liquid |
| pka | -3.95±0.18(Predicted) |
| Major Application | forensics and toxicology |
| InChI | 1S/C14H23NO4S/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(9-12)19-20(16,17)18/h6-9,11,14H,5,10H2,1-4H3,(H,16,17,18)/t11-,14+/m0/s1 |
| InChIKey | HPEFZESOUVTBSA-SMDDNHRTSA-N |
| SMILES | CC[C@H]([C@@H](C)CN(C)C)c1cccc(OS(O)(=O)=O)c1 |
Safety Data
| Hazard Codes | F,T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN1230 - class 3 - PG 2 - Methanol, solution |
| WGK Germany | 1 |
| 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 |