Hydroxyitraconazole

Base Information

• Chemical Name: Hydroxyitraconazole
• CAS No.: 112559-91-8
• Deprecated CAS: 148626-66-8
• Molecular Formula: C35H38 Cl2 N8 O5
• Molecular Weight: 707.65
• DSSTox Substance ID: DTXSID00920835
• Nikkaji Number: J568.496J
• Wikidata: Q27237315
• Mol file: 112559-91-8.mol

Synonyms:hydroxyitraconazole

Chemical Property of Hydroxyitraconazole

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 76-78°C
• Refractive Index: 1.687
• Boiling Point: 884.7°Cat760mmHg
• PKA: 14.72±0.20(Predicted)
• Flash Point: 488.8°C
• PSA: 103.95000
• Density: 1.44g/cm³
• LogP: 4.96710
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 720.2342217
• Heavy Atom Count: 50
• Complexity: 1150

Purity/Quality:

99% ^*data from raw suppliers

Hydroxy Itraconazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl
• 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.
• Uses: A metabolite of Itraconazole, an orally active antimycotic structurally related to Ketoconazole A metabolite of Itraconazole, an orally active antimycotic structurally related to Ketoconazole. It is a COVID19-related research product.