17360-35-9
| Name | OXOTREMORINE SESQUIFUMARATE |
| CAS | 17360-35-9 |
| EINECS(EC#) | 241-388-3 |
| Molecular Formula | C36H48N4O14 |
| MDL Number | MFCD00013163 |
| Molecular Weight | 760.78 |
| MOL File | 17360-35-9.mol |
Chemical Properties
| Melting point | 102-105 °C(lit.) |
| storage temp. | 2-8°C |
| solubility | H2O: 50 mg/mL |
| form | powder |
| color | off-white |
| Water Solubility | H2O: >10mg/mL |
| InChI | 1S/2C12H18N2O.3C4H4O4/c2*15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13;3*5-3(6)1-2-4(7)8/h2*1-2,5-11H2;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+ |
| InChIKey | WLYYOFJEBGHKEC-VQYXCCSOSA-N |
| SMILES | [H]\C(=C(\[H])C(O)=O)C(O)=O.[H]\C(=C(\[H])C(O)=O)C(O)=O.[H]\C(=C(\[H])C(O)=O)C(O)=O.O=C1CCCN1CC#CCN2CCCC2.O=C3CCCN3CC#CCN4CCCC4 |
Safety Data
| Hazard Codes | T+ |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | UY6000000 |
| HazardClass | 6.1(a) |
| PackingGroup | I |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 1 Inhalation Acute Tox. 2 Dermal Acute Tox. 2 Oral |
| Toxicity |