Pretomanid
- Product NamePretomanid
- CAS187235-37-6
- MFC14H12F3N3O5
- MW359.26
- EINECS1533716-785-6
- MOL File187235-37-6.mol
Chemical Properties
| Melting point | 149-150℃ |
| Boiling point | 462.3±55.0 °C(Predicted) |
| Density | 1.58 |
| storage temp. | -20°C |
| solubility | DMSO (Slightly), Methanol (Slightly) |
| pka | -0.67±0.40(Predicted) |
| form | powder |
| color | white to brown |
| optical activity | [α]/D -40 to -48°, c = 1 in methanol |
| InChI | InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1 |
| InChIKey | ZLHZLMOSPGACSZ-NSHDSACASA-N |
| SMILES | O1C[C@@H](OCC2=CC=C(OC(F)(F)F)C=C2)CN2C=C([N+]([O-])=O)N=C12 |
Safety Information
| WGK Germany | WGK 3 |
| HS Code | 2933992000 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |
