Brexpiprazole sulfoxide impurity
- Product NameBrexpiprazole sulfoxide impurity
- CAS1191900-51-2
- MFC25H27N3O3S
- MW449.57
- EINECS
- MOL File1191900-51-2.mol
Chemical Properties
| Boiling point | 771.6±60.0 °C(Predicted) |
| Density | 1.38±0.1 g/cm3(Predicted) |
| storage temp. | Store at -20°C |
| pka | 11.22±0.70(Predicted) |
| form | Solid |
| color | Off-white to light yellow |
| InChI | InChI=1S/C25H27N3O3S/c29-25-9-7-19-6-8-20(18-22(19)26-25)31-16-2-1-11-27-12-14-28(15-13-27)23-4-3-5-24-21(23)10-17-32(24)30/h3-10,17-18H,1-2,11-16H2,(H,26,29) |
| InChIKey | VJYXYAVCCLPIPM-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=CC(OCCCCN3CCN(C4=C5C=CS(=O)C5=CC=C4)CC3)=C2)C=CC1=O |