moleculefinder

Haloperidol

C21H23ClFNO2375.9 g/mol Calculated

Also called Aloperidin, Brotopon, Eukystol and Halopal.

A first-generation antipsychotic used for schizophrenia, mania and acute agitation. Haloperidol (C21H23ClFNO2, 376 g/mol) is an antipsychotic dispensed on prescription.

Sources and notes
  • The introductionfrom sourceMoleculeFinder curated
  • Other namesfrom sourcePubChem / 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

Dispensed on prescription, not sold on a shelf.

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 with a carbon on each side. Its oxygen accepts hydrogen bonds but has no hydrogen to give, and it resists oxidation better than an aldehyde.

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
C21H23ClFNO2
Molecular weight
375.9 g/mol
XLogP3octanol/water, log units
3.2
Polar surface areatopological
40.5 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
6
Complexity
451

Measured LD50, HSDB via PubChem

165 mg/kg pure haloperidol, rat, oral

An LD50 is an animal study measurement, not a dose for a person.

Reported Hazard label (GHS), ECHA via PubChem

Danger Toxic pictogram (GHS06), Irritant pictogram (GHS07) and Health hazard pictogram (GHS08); hazard statements H301, H315, H317, H319, H335, H361

Reported Licence

The US Food and Drug Administration licenses Haloperidol for human use (NDA 020074). Drugs@FDA

SMILESC1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F

PubChem CID 3559 · Wikidata Q251347 · InChIKey LNEPOXFFQSENCJ-UHFFFAOYSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Haloperidol?
A first-generation antipsychotic used for schizophrenia, mania and acute agitation. Haloperidol (C21H23ClFNO2, 376 g/mol) is an antipsychotic dispensed on prescription.
How toxic is Haloperidol?
The reported LD50 of Haloperidol is 165 mg/kg (rat, oral). An LD50 is an animal study measurement, not a dose for a person. Its GHS hazard label carries the signal word Danger and the hazard pictograms Toxic, Irritant and Health hazard. from sourcefrom source
What kind of molecule is Haloperidol?
Haloperidol has the formula C21H23ClFNO2 and a molecular weight of 375.9 g/mol. MoleculeFinder files it under antipsychotics, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
Who licenses Haloperidol as a medicine?
The US Food and Drug Administration licenses Haloperidol for human use (NDA 020074). from source
Sources and notes
  • Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
  • LD50from sourceHSDB via PubChemOther values the sources report: mouse, another route, 60 mg/kg. The page shows the one LD50 the site uses everywhere.
  • Hazard labelfrom sourceECHA via PubChemThe label combines these classifications.
  • ECHAfrom sourceAttributionSource: European Chemicals Agency, echa.europa.eu.
  • Licencefrom sourceDrugs@FDARead 2026-10-21.
  • Data refreshedfrom sourceMoleculeFinder2026-11-09

Keep exploring

Sources and notes
  • The same kind of moleculefrom sourceMoleculeFinder curated groupsA structural neighbour in the same family or type group; the line names the group in its own words.
  • Similar in shapecomputedRDKit Morgan/TanimotoNeighbours by structural fingerprint; the sentence names the chemical groups the two share.
  • The drawingscomputedPubChem structures, drawn by RDKit