Chemical Compound
Isavuconazonium sulfate
CAS Registry Number
946075-13-4
Primary Record
Isavuconazonium sulfate
- In stock
- 2,896 g
- Purity
- 98.7 %
- CAS
- 946075-13-4
Compound Identifiers & Properties
- CAS
- 946075-13-4
- PubChem CID
- 129319022
- SMILES
- CC(C1=NC(=CS1)C2=CC=C(C=C2)C#N)C(CN3C=[N+](C=N3)C(C)OC(=O)N(C)C4=C(C=CC=N4)COC(=O)CNC)(C5=C(C=CC(=C5)F)F)O.OS(=O)(=O)[O-]
- Canonical SMILES
- CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(CC(O)(c2cc(F)ccc2F)C(C)c2nc(-c3ccc(C#N)cc3)cs2)c1.O=S(=O)([O-])O
Names & Synonyms
- Isavuconazonium sulfate
- Isavuconazole Impurity 27
- HMS5087C04
- BCP23774
- PD065120
- 946075-13-4
- BAL8557; BAL-8557; BAL 8557
- [2-[1-[1-[(2R,3R)-3-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl]-1,2,4-triazol-4-ium-4-yl]ethoxycarbonyl-methylamino]pyridin-3-yl]methyl 2-(methylamino)acetate;hydrogen sulfate
- 1-(3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-((methyl(3-(((methylglycyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium hydrogen sulfate