Piretanide
- Product NamePiretanide
- CAS55837-27-9
- MFC17H18N2O5S
- MW362.4
- EINECS259-852-9
- MOL File55837-27-9.mol
Chemical Properties
| Melting point | 225-227° |
| Boiling point | 253°C (rough estimate) |
| Density | 1.3049 (rough estimate) |
| refractive index | 1.6510 (estimate) |
| storage temp. | 2-8°C |
| solubility | Very slightly soluble in water, sparingly soluble in anhydrous ethanol. It shows polymorphism (5.9). |
| form | Solid |
| pka | 10.22±0.60(Predicted) |
| color | Pale-yellow platelets from MeOH (aq) |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C17H18N2O5S/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23) |
| InChIKey | UJEWTUDSLQGTOA-UHFFFAOYSA-N |
| SMILES | [S](=O)(=O)(N)c1c(c(cc(c1)C(=O)O)N3CCCC3)Oc2ccccc2 |
| CAS DataBase Reference | 55837-27-9(CAS DataBase Reference) |
Safety Information
| WGK Germany | WGK 3 |
| Storage Class | 11 - Combustible Solids |
| Toxicity | LD50 in rats, mice (mg/kg): 5601, 3672 orally (Merkel) |
