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Heterocyclic building blocks

Barbital

Also known as Barbitone, 5,5-Diethylbarbituric acid, Diethylmalonylurea

CAS 57-44-3Formula C8H12N2O3Molar mass 184.20 g/molEC 200-331-2
GHS signal word: Warning. Pictograms: Harmful or irritant Prohibited, not for trade
Why it is not for trade
Barbital chemical structure, C8H12N2O3, CAS 57-44-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
57-44-3
Formula
C8H12N2O3
Molar mass
184.20 g/mol
EC number
200-331-2
HS code
293353
Category
Heterocyclic building blocks

What is Barbital?

Plain description, key identifiers and synonyms

5,5-diethylbarbituric acid is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). It has a role as a drug allergen.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5,5-diethyl-1,3-diazinane-2,4,6-trione
CAS number
57-44-3 CAS number cross-checked
EC number
200-331-2
Molecular formula
C8H12N2O3
UNII
5WZ53ENE2P
InChIKey
FTOAOBMCPZCFFF-UHFFFAOYSA-N
InChI
InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
SMILES (canonical and isomeric)
CCC1(C(=O)NC(=O)NC1=O)CC

Synonyms

  • Barbitone
  • 5,5-Diethylbarbituric acid
  • Diethylmalonylurea
  • Ethylbarbital
  • Diemal
  • DEBA
  • 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione
  • Veronal
  • Vesperal
  • Malonal
  • Uronal
  • Diethylbarbitone
  • Dormonal
  • Hypnogene
  • Veroletten
  • Verolettin
  • Sedeval
  • Diethylbarbituric acid
  • 5,5-diethyl-1,3-diazinane-2,4,6-trione
  • 5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-
  • Barbituric acid, 5,5-diethyl-
  • Kyselina 5,5-diethylbarbiturova
  • Barbitonum
  • Diemalum
Show all 32 synonyms
  • Barbital (VAN)
  • Barbitale
  • Barbitalum
  • Diethyl-barbituric acid
  • Barbital (1.0mg/ml in Acetonitrile)
  • DEA No. 2145
  • diethylmalonyl urea

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
184.20 g/molcalc.
Exact mass
184.0848 Dacalc.
LogP (octanol/water)
0.16calc.
Topological polar surface area
75.27 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
13calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CC(=O)NC(=O)N1

O=C1CC(=O)NC(=O)N1

1 ring, 9 atoms, the Barbituric acid ring system.

747 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Barbital suppliers

Trading restrictions apply to this substance

Psychotropic substance

Barbital is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.53 (barbiturates)

Our policy on controlled substances

Barbital price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Use classes: Pharmaceuticals.

Pharmacological actions

  • GABA Modulators
  • Hypnotics and Sedatives

Roles

  • aetiopathogenetic role
  • allergen
  • drug allergen
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

Psychotropic substance

Barbital is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2933.53 (barbiturates)

Our policy on controlled substances

Controls

  • US DEA controlled substance or listed chemical
  • Controlled psychotropic substance

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Barbital is traded under.

HS 2933.53Exact HS code

Allobarbital (INN), amobarbital (INN), barbital (INN), butalbital (INN), butobarbital…

World exports in 2024
$38.3M
+53.4% vs 2023, imports $32M
2019 to 2024
Top exporters
  1. Ireland45.2%
  2. Germany19.5%
  3. China8.8%
Top importers
  1. United States19.2%
  2. Italy16.9%
  3. Netherlands14.7%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Barbital is indicative (it was matched by name in the HS nomenclature). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Barbital, based on the data on this page

What is Barbital?

5,5-diethylbarbituric acid is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by two ethyl groups. Formerly used as a hypnotic (sleeping aid). It has a role as a drug allergen.

What is the CAS number of Barbital?

The CAS registry number of Barbital is 57-44-3.

What is the molecular formula and weight of Barbital?

The molecular formula of Barbital is C8H12N2O3 and its molar mass is 184.20 g/mol.

What is Barbital used for?

Use classes: Pharmaceuticals.

Is Barbital hazardous?

Barbital carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Barbital?

Barbital is usually classified under HS code 293353 (Allobarbital (INN), amobarbital (INN), barbital (INN), butalbital (INN), butobarbital…). This is indicative, confirm it with your customs broker before shipping.

Can I buy Barbital on CompoundList?

No. Barbital is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle Barbital

Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page

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