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HYDROXY ITRACONAZOLE

HYDROXY ITRACONAZOLE structure

CAS No:
112559-91-8
Formula:
C35H38Cl2N8O5
Chemical Name:
HYDROXY ITRACONAZOLE
Synonyms:
HYDROXY ITRACONAZOLE;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;R 63373;Itraconazole Impurity 8(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)-;Itraconazole 2-Hydroxy Metabolite;Itraconazole metabolite Hydroxy Itraconazole

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 exhibitsin vitroantifungal activity (MIC = 0.019, 0.078, and 0.078 mg/ml againstC. albicans,A. fumigatus, andC. 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.

Off-White Crystalline Solid

HYDROXY ITRACONAZOLE Basic Attributes

Molecular Weight：

721.63

Exact Mass：

720.2342217 g/mol

DSSTox ID：

DTXSID70678710

Color/Form：

White to Pale Beige

Characteristics

PSA：

103.95000

XLogP3：

4.96710

Density：

1.44±0.1 g/cm3(Predicted)

Melting Point：

76-78°C

Boiling Point：

884.7±75.0 °C(Predicted)

Flash Point：

488.8ºC

Refractive Index：

1.687

Vapor Pressure：

0mmHg at 25°C

PKA：

14.72±0.20(Predicted)

Critical Temperature & Pressure：

-20°C Freezer

Safety Information

wgk germany：

WGK 1

Drug Information

MeSH：

Substances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues. (See all compounds classified as Antifungal Agents.)

Metabolism/Metabolites：

Hydroxy-iteraconazole is a known human metabolite of itraconazole.

MeSH Entry Terms：

hydroxyitraconazole

HYDROXY ITRACONAZOLE Use and Manufacturing

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

Computed Properties

Molecular Weight:721.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:11
Exact Mass:720.2342217
Monoisotopic Mass:720.2342217
Topological Polar Surface Area:121
Heavy Atom Count:50
Complexity:1150
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of HYDROXY ITRACONAZOLE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

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