Products 946075-13-4

CAS 946075-13-4 appears in our catalog under these names: Isavuconazonium sulfate, 95%, Isavuconazonium Sulfate, Isavuconazonium sulfate/ 97%, Isavuconazonium (sulfate), Isavuconazonium sulfate 98%. Offered by: Combi-blocks, TRC, TargetMol, GLPBio, Ambeed. Available pack sizes: 100mg, 500mg, 50mg, 5mg, 10mg, 25mg, 250mg, 1g.

Structural formula: {0} (CAS {1})

Isavuconazonium sulfate is an azaheterocycle sulfate salt that is a prodrug for isavuconazole, an antifungal agent used for the treatment of invasive aspergillosis and invasive mucormycosis. It has a role as a prodrug, an orphan drug, an ergosterol biosynthesis inhibitor and an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It is an azaheterocycle sulfate salt, a conazole antifungal drug and a triazole antifungal drug. It contains an isavuconazonium.

Source: ChEBI

Identity
Molecular formulaC35H36F2N8O9S2
Molecular weight814.8 g/mol
IUPAC name[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]-3-pyridinyl]methyl 2-(methylamino)acetate;hydrogen sulfate
InChIKeyLWXUIUUOMSMZKJ-KLFWAVJMSA-M
SMILESC[C@@H](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-]

Computed by PubChem (NCBI)