moleculefinder

Montelukast

C35H36ClNO3S586.2 g/mol Calculated

Also called Singulair and Brondilat.

An airway medicine sold as Singulair, used for asthma and hay fever. It blocks leukotrienes rather than histamine.

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. Montelukast on the product labels we hold.

Medicines

SingulairAdded by the makerActive ingredient

Every product and list we hold

Sources and notes
  • The product labels and their strengthsfrom sourceDailyMed (FDA label)Each label lists the molecule as an ingredient, and an active ingredient at the strength shown.
  • How it gets therefrom sourceMoleculeFinder curatedEach mark is set by hand on our lists, never inferred; a label's ingredient is added by the maker. A row with no mark data says Not marked.
  • The line abovefrom sourceMoleculeFinder curatedFrom the group the molecule belongs to.

Explore its structure

Choose a part to light it up.

A carbon carrying both a C=O and an O-H, written COOH. In water it gives up that hydrogen, which is what makes the molecule an acid.

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
C35H36ClNO3S
Molecular weight
586.2 g/mol
XLogP3octanol/water, log units
7.7
Polar surface areatopological
95.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
12
Complexity
891

Reported Hazard label (GHS), ECHA via PubChem

Warning Irritant pictogram (GHS07); hazard statements H302, H312, H332

Reported Licence

The US Food and Drug Administration licenses Montelukast for human use (NDA 020829, authorized February 20, 1998). Drugs@FDA

Groups it belongs to

Category
Prescription medicine
Family
Airway medicines
Chemical groups
Alcohols, Carboxylic Acids, Aromatics, Halogenated
Elements
Chlorine, Nitrogen, Sulfur
Hazard classes
Irritant, GHS Warning
SMILESCC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC…87 characters

PubChem CID 5281040 · Wikidata Q417767 · InChIKey UCHDWCPVSPXUMX-TZIWLTJVSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Montelukast?
An airway medicine sold as Singulair, used for asthma and hay fever. It blocks leukotrienes rather than histamine.
How toxic is Montelukast?
Its GHS hazard label carries the signal word Warning and the hazard pictogram Irritant. from source
What kind of molecule is Montelukast?
Montelukast has the formula C35H36ClNO3S and a molecular weight of 586.2 g/mol. MoleculeFinder files it under airway medicines, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
Who licenses Montelukast as a medicine?
The US Food and Drug Administration licenses Montelukast for human use (NDA 020829, authorized February 20, 1998). from source
Sources and notes
  • Calculated valuescomputedPubChemComputed from the structure, so no laboratory conditions apply; complexity is PubChem's own structural score.
  • 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