moleculefinder

Ketoconazole

C26H28Cl2N4O4531.4 g/mol Calculated

Also called Nizoral, Nizoral A-D, Ketozole and Extina.

An antifungal, familiar over the counter as the anti-dandruff shampoo Nizoral. Ketoconazole (C26H28Cl2N4O4, 531 g/mol) is an antifungal sold over the counter.

Sources and notes
  • The introductionfrom sourceMoleculeFinder curated
  • Other namesfrom sourceWikidataIts English label and aliases on Wikidata.
  • Formula and weightcomputedPubChem
  • 2D drawingcomputedPubChem structure, drawn by RDKit
  • 3D modelfrom sourcePubChem 3D conformerLoaded after the page has painted, and on a phone only when you ask for it; the 2D drawing shows until it arrives.

Where you encounter it

Sold over the counter, without a prescription.

Sources and notes
  • The line abovefrom sourceMoleculeFinder curatedFrom the group the molecule belongs to.

Explore its structure

Choose a part to light it up.

A C=O bonded to a nitrogen, the same link that joins amino acids in a protein. It is sturdy, and its nitrogen is not a base the way an amine's is.

From: standard chemistry.

Sources and notes
  • The drawingcomputedPubChem structure, drawn by RDKitThe page's one shipped drawing, with the chosen part lit in amber under it.
  • The partscomputedFound by ruleEach part is found by a chemical pattern, never picked by hand atom by atom; its words say where they come from.

Properties and sources

Calculated by PubChem

Molecular formula
C26H28Cl2N4O4
Molecular weight
531.4 g/mol
XLogP3octanol/water, log units
4.3
Polar surface areatopological
69.1 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Complexity
735

Reported Licence

The US Food and Drug Administration licenses Ketoconazole for human use (NDA 020310, authorized October 10, 1997), as Nizoral Anti-Dandruff. Drugs@FDA

Groups it belongs to

Category
OTC medicine
Family
Antifungals
Use
Skin and topical
Chemical groups
Aromatics, Amides, Ethers, Halogenated
Elements
Chlorine, Nitrogen
SMILESCC(=O)N1CCN(CC1)C2=CC=C(C=C2)OCC3COC(O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl

PubChem CID 3823 · Wikidata Q407883 · InChIKey XMAYWYJOQHXEEK-UHFFFAOYSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Ketoconazole?
An antifungal, familiar over the counter as the anti-dandruff shampoo Nizoral. Ketoconazole (C26H28Cl2N4O4, 531 g/mol) is an antifungal sold over the counter.
What kind of molecule is Ketoconazole?
Ketoconazole has the formula C26H28Cl2N4O4 and a molecular weight of 531.4 g/mol. MoleculeFinder files it under antifungals, in the OTC medicine group. from sourcefrom sourcefrom sourcefrom source
What else is Ketoconazole called?
Ketoconazole is also called Nizoral A-D, Ketozole, Nizoral and Extina. from source
Who licenses Ketoconazole as a medicine?
The US Food and Drug Administration licenses Ketoconazole for human use (NDA 020310, authorized October 10, 1997), as Nizoral Anti-Dandruff. from source
Sources and notes
  • Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
  • Licencefrom sourceDrugs@FDARead 2026-10-21.
  • Data refreshedfrom sourceMoleculeFinder2026-11-09