Isavuconazonium sulfate
[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
Molecular Identity
Isavuconazonium sulfate
[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
PubChem CID: 72196309
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.
2D Structure
Properties
C35H36F2N8O9S2
Molecular Formula
814.80
Molecular Weight
g/mol
814.2015
Exact Mass
Da
273
TPSA
May have limited oral absorption
3
H-Bond Donors
17
H-Bond Acceptors
1290
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Isavuconazonium sulfate946075-13-4CresembaBAL-8557-002BAL8557-002AK182031Q44514JVAK-1820CHEBI:85977DTXSID901026216Glycine, N-methyl-, (2-(((1-(1-((2R,3R)-3-(4-(4-cyanophenyl)-2-thiazolyl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4H-1,2,4-triazolium-4-yl)ethoxy)carbonyl)methylamino)-3-pyridinyl)methyl ester, sulfate (1:1)1-((2R,3R)-3-(4-(4-Cyanophenyl)-1,3-thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-((1RS)-1-((methyl(3-((((methylamino)acetyl)oxy)methyl)pyridin-2-yl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium monosulfate1-{(2R,3R)-3-[4-(4-Cyanophenyl)-1,3-thiazol-2-yl]-2-(2,5-difluorophenyl)-2-hydroxybutyl}-4-[(1RS)-1-({methyl[3-({[(methylamino)acetyl]oxy}methyl)pyridin-2-yl]carbamoyl}oxy)ethyl]-1H-1,2,4-triazol-4-ium monosulfateRefChem:56948DTXCID601510470
Data from PubChem (NCBI)
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