Desmethyl bosentan
- Product NameDesmethyl bosentan
- CAS253688-61-8
- MFC26H27N5O6S
- MW537.59
- EINECS
- MOL File253688-61-8.mol
Chemical Properties
| Boiling point | 739.2±70.0 °C(Predicted) |
| Density | 1.376±0.06 g/cm3(Predicted) |
| storage temp. | -20°C Freezer |
| solubility | Acetonitrile: soluble,DMSO: soluble,Methanol: soluble |
| form | A solid |
| pka | 3.92±0.10(Predicted) |
| Major Application | pharmaceutical small molecule |
| InChIKey | STTLKJGYAWXIPP-UHFFFAOYSA-N |
| SMILES | C1(S(NC2C(OC3=CC=CC=C3O)=C(OCCO)N=C(C3=NC=CC=N3)N=2)(=O)=O)=CC=C(C(C)(C)C)C=C1 |
Safety Information
| WGK Germany | WGK 2 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Aquatic Chronic 3 Repr. 2 |
