moleculefinder

Secobarbital

C12H18N2O3238.28 g/mol Calculated

Also called quinalbarbitone and secobarbitone.

A short-acting barbiturate sold as Seconal, once a common sleeping pill and now rarely prescribed. Secobarbital (C12H18N2O3, 238 g/mol) is a barbiturate dispensed on prescription.

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
C12H18N2O3
Molecular weight
238.28 g/mol
XLogP3octanol/water, log units
2
Polar surface areatopological
75.3 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Complexity
343

Measured LD50, HSDB via PubChem

125 mg/kg pure secobarbital, 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 Irritant pictogram (GHS07); hazard statements H301, H315, H319, H335

Groups it belongs to

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

PubChem CID 5193 · Wikidata Q414788 · InChIKey KQPKPCNLIDLUMF-UHFFFAOYSA-N · Data refreshed

How MoleculeFinder sources and labels its data

Questions
What is Secobarbital?
A short-acting barbiturate sold as Seconal, once a common sleeping pill and now rarely prescribed. Secobarbital (C12H18N2O3, 238 g/mol) is a barbiturate dispensed on prescription.
How toxic is Secobarbital?
The reported LD50 of Secobarbital is 125 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 Irritant. from sourcefrom source
What kind of molecule is Secobarbital?
Secobarbital has the formula C12H18N2O3 and a molecular weight of 238.28 g/mol. MoleculeFinder files it under barbiturates, in the prescription medicine group. from sourcefrom sourcefrom sourcefrom source
What else is Secobarbital called?
Secobarbital is also called quinalbarbitone and secobarbitone. 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, oral, 267 mg/kg; rat, intravenous, 65 mg/kg; mouse, another route, 116 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.
  • 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