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ChemicalBook--->CAS DataBase List--->112559-91-8

112559-91-8

112559-91-8 Structure

112559-91-8 Structure
IdentificationBack Directory
[Name]

HYDROXY ITRACONAZOLE
[CAS]

112559-91-8
[Synonyms]

R 63373
HYDROXY ITRACONAZOLE
Itraconazole Impurity 1
Itraconazole 2-Hydroxy Metabolite
Itraconazole metabolite Hydroxy Itraconazole
4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylMethyl)-1,3-dioxolan-4-yl]Methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(2-hydroxy-1-Methylpropyl)-
3H-1,2,4-Triazol-3-one, 4-4-4-4-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethoxyphenyl-1-piperazinylphenyl-2,4-dihydro-2-(2-hydroxy-1-methylpropyl)-
4-[4-[4-[4-[[2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]-1-piperazinyl]phenyl]-2,4-dihydro-2-(2-hydroxy-1-methylpropyl)-3H-1,2,4-triazol-3-one
[Molecular Formula]

C35H40Cl2N8O4
[MDL Number]

MFCD00871966
[MOL File]

112559-91-8.mol
[Molecular Weight]

707.65
Chemical PropertiesBack Directory
[Appearance]

Off-White Crystalline Solid
[Melting point ]

76-78°C
[Boiling point ]

884.7±75.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C Freezer
[solubility ]

Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

14.72±0.20(Predicted)
[color ]

White to Pale Beige
Hazard InformationBack Directory
[Chemical Properties]

Off-White Crystalline Solid
[Uses]

A metabolite of Itraconazole, an orally active antimycotic structurally related to Ketoconazole
[Description]

Hydroxy itraconazole (OH-ITZ) is an active metabolite of the antifungal agent itraconazole . Itraconazole is metabolized by the cytochrome P450 isoform 3A4 (CYP3A4) to form hydroxy itraconazole. Hydroxy itraconazole exhibits in vitro antifungal activity (MIC = 0.019, 0.078, and 0.078 mg/ml against C. albicans, A. fumigatus, and C. neoformans, respectively). Plasma concentration of hydroxy itraconazole is directly correlated to that of the parent compound and is used as an indicator of prophylaxis for fungal infections.
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