173532-15-5
| Name | TIZANIDINE RELATED COMPOUND B (50 MG) (N-ACETYLTIZANIDINE) |
| CAS | 173532-15-5 |
| Molecular Formula | C11H10ClN5OS |
| Molecular Weight | 295.75 |
| MOL File | 173532-15-5.mol |
Chemical Properties
| Boiling point | 431.3±55.0 °C(Predicted) |
| density | 1.69±0.1 g/cm3(Predicted) |
| storage temp. | 2-30°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | neat |
| pka | 0.95±0.20(Predicted) |
| Major Application | pharmaceutical (small molecule) |
| InChI | 1S/C11H10ClN5OS/c1-6(18)17-5-4-13-11(17)14-9-7(12)2-3-8-10(9)16-19-15-8/h2-3H,4-5H2,1H3,(H,13,14) |
| InChIKey | NBGDKTHDTLEUQJ-UHFFFAOYSA-N |
| SMILES | [s]1nc2c(n1)ccc(c2NC3=NCCN3C(=O)C)Cl |
Safety Data
| Symbol(GHS) |   GHS07,GHS08 |
| Signal word | Warning |
| Hazard statements | H361-H302+H332 |
| Precautionary statements | P201-P202-P281-P308+P313-P405-P501 |
| WGK Germany | WGK 3 |
| REACH Registrations | Active |
| HS Code | 2934990002 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |