moleculefinder

Pentobarbital

C11H18N2O3226.27 g/mol Calculated

Also called pentobarbituric acid and pentobarbitone.

A barbiturate once used for sedation and seizures, now mostly a veterinary anaesthetic and euthanasia agent.

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

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 ring of four carbons and two nitrogens carrying three C=O groups, the ring every barbiturate is built on. The two groups on its one carbon with no oxygen are what tell one barbiturate from another.

From: standard chemistry (pyrimidine-2,4,6-trione, barbituric acid's ring).

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
C11H18N2O3
Molecular weight
226.27 g/mol
XLogP3octanol/water, log units
2.1
Polar surface areatopological
75.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Complexity
305

Measured LD50, HSDB via PubChem

118 mg/kg pure pentobarbital, 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) and Health hazard pictogram (GHS08); hazard statements H301, H361

Reported Licence

The US Food and Drug Administration licenses Pentobarbital for human use (ANDA 083246, authorized September 19, 1973), as Nembutal Sodium. Drugs@FDA

Groups it belongs to

Category
Prescription medicine
Family
Barbiturates
Chemical groups
Amides
Elements
Nitrogen
Hazard classes
Acutely toxic, Health hazard, GHS Danger
SMILESCCCC(C)C1(C(=O)NC(=O)NC1=O)CC

PubChem CID 4737 · Wikidata Q409632 · InChIKey WEXRUCMBJFQVBZ-UHFFFAOYSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Pentobarbital?
A barbiturate once used for sedation and seizures, now mostly a veterinary anaesthetic and euthanasia agent.
How toxic is Pentobarbital?
The reported LD50 of Pentobarbital is 118 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 and Health hazard. from sourcefrom source
What kind of molecule is Pentobarbital?
Pentobarbital has the formula C11H18N2O3 and a molecular weight of 226.27 g/mol. MoleculeFinder files it under barbiturates, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
What else is Pentobarbital called?
Pentobarbital is also called pentobarbituric acid and pentobarbitone. from source
Who licenses Pentobarbital as a medicine?
The US Food and Drug Administration licenses Pentobarbital for human use (ANDA 083246, authorized September 19, 1973), as Nembutal Sodium. 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: rat, oral, 125 mg/kg; rat, another route, 108 mg/kg; rat, another route, 144 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.
  • The drawingscomputedPubChem structures, drawn by RDKit