API reference
Ketoconazole
- CAS number
- 65277-42-1
- Molecular formula
- C26H28Cl2N4O4
- Molecular weight
- 531.4 g/mol
About this molecule
Ketoconazole is only found in individuals that have used or taken this drug. It is a broad spectrum antifungal agent used for long periods at high doses, especially in immunosuppressed patients. [PubChem]Ketoconazole interacts with 14-α demethylase, a cytochrome P-450 enzyme necessary for the conversion of lanosterol to ergosterol. This results in inhibition of ergosterol synthesis and increased fungal cellular permeability. Other mechanisms may involve the inhibition of endogenous respiration, interaction with membrane phospholipids, inhibition of yeast transformation to mycelial forms, inhibition of purine uptake, and impairment of triglyceride and/or phospholipid biosynthesis. Ketoconazole can also inhibit the synthesis of thromboxane and sterols such as aldosterone, cortisol, and testosterone.
Source: Toxin and Toxin Target Database (T3DB), via PubChem.
Identifiers
- IUPAC name
- 1-[4-[4-[[(2S,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
- InChIKey
- XMAYWYJOQHXEEK-ZEQKJWHPSA-N
- SMILES
- CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@@H]3CO[C@@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
- Other CAS numbers recorded
- 79156-75-5 · 142128-57-2 · 72093-26-6
- PubChem CID
- 47576
Also known as
ketoconazole · Nizoral · Panfungol · Ketoderm · Fungarest · Fungoral · Ketoisdin · Ketozole
Chemical data on this page is drawn from PubChem (National Library of Medicine) and is provided for identification only. Hanpars does not hold stock of every substance listed; availability, grade, documentation and regulatory status are confirmed per enquiry.
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