6104-71-8
| Name | N-DESMETHYLCLOZAPINE |
| CAS | 6104-71-8 |
| EINECS(EC#) | 636-421-7 |
| Molecular Formula | C17H17ClN4 |
| MDL Number | MFCD00210189 |
| Molecular Weight | 312.8 |
| MOL File | 6104-71-8.mol |
Chemical Properties
| Appearance | Yellow Crystalline Solid |
| Melting point | 120-125°C |
| Boiling point | 502.6±60.0 °C(Predicted) |
| density | 1.38±0.1 g/cm3(Predicted) |
| Fp | 9℃ |
| storage temp. | Store at RT |
| solubility | Chloroform (Slightly), DMSO, Methanol (Slightly) |
| form | Yellow solid. |
| pka | 8.49±0.10(Predicted) |
| color | Light Yellow to Yellow |
| Usage | A major metabolite of Clozapine. A potent and selective 5-HT2C serotonin receptor antogonist. |
| InChI | 1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2 |
| InChIKey | JNNOSTQEZICQQP-UHFFFAOYSA-N |
| SMILES | Clc1ccc2Nc3ccccc3C(=Nc2c1)N4CCNCC4 |
| CAS DataBase Reference | 6104-71-8(CAS DataBase Reference) |
Safety Data
| Hazard Codes | Xn |
| Risk Statements | |
| Safety Statements | |
| RIDADR | 3249 |
| WGK Germany | 3 |
| HazardClass | 6.1(b) |
| PackingGroup | III |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |