Ketoconazole
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.

Category | Bioactive by-products |
Catalog number | BBF-04031 |
CAS | 65277-42-1 |
Molecular Weight | 531.43 |
Molecular Formula | C26H28Cl2N4O4 |
Purity | >98% |
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Capabilities & Facilities
Fermentation Lab
4 R&D and scale-up labs
2 Preparative purification labs
Fermentation Plant
Semi pilot, pilot and industrial plant 4 Manufacturing sites 7 Production lines at pilot scale 100+ Reactors of 30-4000 L; 170+ reactors of 20 KL-30 KL; 24+ reactors of >100 KL 2 Hydrogenation reactors (200 L, 4Mpa and 1000L, 4Mpa)
Product Description
Ketoconazole inhibits cyclosporine oxidase and testosterone 6 beta-hydroxylase with IC50 of 0.19 mM and 0.22 mM, respectively. It is used primarily to treat fungal infections.
- Specification
- Properties
- Toxicity
- Reference Reading
- Spectrum
- Price Product List
- QC Data
Synonyms | Kuric; Nizoral; (2R,4S)-ketoconazole; Fungarest |
Storage | Store at 2-8°C |
IUPAC Name | 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone |
Canonical SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl |
InChI | InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1 |
InChI Key | XMAYWYJOQHXEEK-OZXSUGGESA-N |
Source | Synthetic |
Appearance | White to Off-white Solid |
Application | For the treatment of fungal infections. |
Antibiotic Activity Spectrum | fungi |
Boiling Point | 753.4°C at 760 mmHg |
Melting Point | 148-150°C |
Density | 1.38 g/cm3 |
Solubility | Soluble in DMSO |
LogP | 4.35 |
Carcinogenicity | No indication of carcinogenicity to humans (not listed by IARC). |
Mechanism Of Toxicity | 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. |
Toxicity | Hepatotoxicity, LD50: 86 mg/kg (orally in rat); LD50 = 44 mg/kg (Intravenous, Mouse); LD50: 702 mg/kg (Oral, Mouse). |
Predicted LC-MS/MS Spectrum - 10V, Positive

Experimental Conditions
Collision Energy: 10 eV
Instrument Type: QTOF (generic), spectrum predicted by CFM-ID
Mass Resolution: 0.0001 Da
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
