2-Deschloro Aripiprazole
- Product Name2-Deschloro Aripiprazole
- CAS203395-82-8
- MFC23H28ClN3O2
- MW413.94
- EINECS
- MOL File203395-82-8.mol
Chemical Properties
| Melting point | 100-102°C |
| Boiling point | 626.9±55.0 °C(Predicted) |
| Density | 1.206±0.06 g/cm3(Predicted) |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 14.42±0.20(Predicted) |
| color | White to Off-White |
| Major Application | pharmaceutical |
| InChI | InChI=1S/C23H28ClN3O2/c24-19-4-3-5-20(16-19)27-13-11-26(12-14-27)10-1-2-15-29-21-8-6-18-7-9-23(28)25-22(18)17-21/h3-6,8,16-17H,1-2,7,9-15H2,(H,25,28) |
| InChIKey | SHHUSQIOAKPGMO-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(OCCCCN3CCN(C4=CC=CC(Cl)=C4)CC3)=C2)CCC1=O |
Safety Information
| WGK Germany | WGK 1 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 4 |
