946075-13-4
| Name | Isavuconazonium sulfate |
| CAS | 946075-13-4 |
| Molecular Formula | C35H35F2N8O5S.HSO4 |
| MDL Number | MFCD27987905 |
| Molecular Weight | 814.835 |
| MOL File | 946075-13-4.mol |
Chemical Properties
| storage temp. | Store at -20°C |
| solubility | DMSO:93.34(Max Conc. mg/mL);114.55(Max Conc. mM) DMSO:PBS (pH 7.2) (1:5):0.16(Max Conc. mg/mL);0.2(Max Conc. mM) Ethanol:10.0(Max Conc. mg/mL);12.27(Max Conc. mM) |
| form | A crystalline solid |
| color | White to off-white |
| InChIKey | LWXUIUUOMSMZKJ-XHOYWDQFNA-M |
| SMILES | S(O)([O-])(=O)=O.[C@@](C1C=C(F)C=CC=1F)(O)(CN1N=C[N+](C(C)OC(=O)N(C2N=CC=CC=2COC(=O)CNC)C)=C1)[C@H](C1SC=C(C2C=CC(C#N)=CC=2)N=1)C |&1:5,41,r| |
Safety Data
| Symbol(GHS) |    GHS07,GHS08,GHS09 |
| Signal word | Danger |
| Hazard statements | H302-H361d-H372-H410 |
| Precautionary statements | P202-P260-P264-P273-P301+P312-P308+P313 |
| WGK Germany | WGK 3 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 4 Oral Aquatic Acute 1 Aquatic Chronic 1 Repr. 2 STOT RE 1 |