144665-07-6
| Name | Lubeluzole |
| CAS | 144665-07-6 |
| Molecular Formula | C22H25F2N3O2S |
| MDL Number | MFCD00930465 |
| Molecular Weight | 433.521 |
| MOL File | 144665-07-6.mol |
Chemical Properties
| Melting point | 65.8° |
| alpha | D20 +4.38° (c = 1 in methanol) |
| storage temp. | 2-8°C |
| solubility | H2O: soluble2mg/mL, clear (warmed) |
| form | powder |
| color | white to beige |
| Water Solubility | H2O: 2mg/mL, clear (warmed) |
| InChI | 1S/C22H25F2N3O2S/c1-26(22-25-20-4-2-3-5-21(20)30-22)15-8-10-27(11-9-15)13-16(28)14-29-17-6-7-18(23)19(24)12-17/h2-7,12,15-16,28H,8-11,13-14H2,1H3/t16-/m0/s1 |
| InChIKey | OZFSWVOEXHGDES-INIZCTEOSA-N |
| SMILES | Fc1c(ccc(c1)OC[C@@H](O)CN2CCC(CC2)N(C)c3[s]c4c(n3)cccc4)F |
Safety Data
| Symbol(GHS) |  GHS07 |
| Signal word | Warning |
| Hazard statements | H302-H413 |
| Precautionary statements | P273-P301+P312+P330 |
| Hazard Codes | Xn |
| Risk Statements | |
| WGK Germany | 3 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Chronic 4 |