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Pharmaceuticals and APIs

Pentobarbital

Also known as Pentobarbitone, Nembutal, Mebubarbital

CAS 76-74-4Formula C11H18N2O3Molar mass 226.28 g/molEC 200-983-8
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard Prohibited, not for trade Drug substance
Why it is not for trade
Pentobarbital chemical structure, C11H18N2O3, CAS 76-74-4
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Crystals from alcohol
Melting point
130 °C
Solubility
A white, hygroscopic, crystalline powder or granules, odorless or with a slight characte…
HS code
293353
Category
Pharmaceuticals and APIs

What is Pentobarbital?

Plain description, key identifiers and synonyms

Pentobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as a GABAA receptor agonist.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
CAS number
76-74-4 CAS number cross-checked
EC number
200-983-8
Molecular formula
C11H18N2O3
UNII
I4744080IR
InChIKey
WEXRUCMBJFQVBZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
SMILES (canonical and isomeric)
CCCC(C)C1(C(=O)NC(=O)NC1=O)CC

Synonyms

  • Pentobarbitone
  • Nembutal
  • Mebubarbital
  • Pentobarbituric acid
  • Ethaminal
  • Dorsital
  • Mebumal
  • Rivadorm
  • Pentobarbiturate
  • Pentabarbitone
  • Neodorm (new)
  • Pentabarbital
  • Pentobarbitalum
  • 5-Ethyl-5-(1-methylbutyl)barbituric acid
  • 5-Ethyl-5-(sec-pentyl)barbituric acid
  • 5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Ethyl-5-(1-methylbutyl)malonylurea
  • Pentobarbital cii
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(1-methylbutyl)-
  • Barbituric acid, 5-ethyl-5-(1-methylbutyl)-
  • 5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
  • 5-ethyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trione
  • Aethaminalum
  • 5-ethyl-5-(pentan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
  • Nembutal (VAN)
Show all 36 synonyms
  • DEA No. 2270
  • Pentobarbitale
  • Pentobarbital (VAN)
  • Pentobarbitone (VAN)
  • 5-Ethyl-5-(1-methyl-butyl)-pyrimidine-2,4,6-trione
  • Phetobarbitone
  • Pentobarbital (1mg/ml in Methaniol)
  • Pentobarbital (1mg/ml in Acetonitrile)
  • Nembutal (TN)
  • Ethyl-propylmethylcarbinylbarbituric acid
  • Pentobarbital (USP/INN)

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

Appearance
Crystals from alcoholexp.
Odour
Practically odorlessexp.
Melting point
130 °Cexp.
Solubility
A white, hygroscopic, crystalline powder or granules, odorless or with a slight characteristic odor, with a slightly bitter taste. Very sol in water and alcohol, practically insol in ether.exp.

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
226.28 g/molcalc.
Exact mass
226.1317 Dacalc.
LogP (octanol/water)
1.18calc.
Topological polar surface area
75.27 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
4calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
1calc.
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
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H361Suspected of damaging fertility or the unborn child.
Precautionary statements (10)
  • P203Obtain, read and follow all safety instructions before use.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • 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

Pentobarbital suppliers

Trading restrictions apply to this substance

Psychotropic substance

Pentobarbital 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

Pentobarbital 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

This is a controlled substance.

Therapeutic category: Sedative, hypnotic.

Veterinary medication:.

Use classes: Pharmaceuticals, Animal Drugs.

Roles

  • GABA agent
  • GABA agonist
  • GABAA receptor agonist
  • cardiovascular drug
  • neuroprotective agent
  • neurotransmitter agent
  • pharmaceutical
  • protective agent

How it is made

Ethyl cyanoacetate + methyl propyl ketone + ethyl bromide + dicyandiamide (Cope reaction/hydrogenation/dehydrobromination/cyclisation/nitrile hydrolysis/decarboxylation).

It is prepared by boiling ethyl-1-methylbutylcyanoacetic ester with guanidine in sodium ethoxide solution and saponifying the product with dilute sulfuric acid.

The 5,5-disubstituted barbituric acids are still synthesized by the classical condensation of substituted malonic esters, malonic amides, or cyanoacetic esters with urea, thiourea, guanidine, or dicyanodiamide, followed by the hydrolysis of the resulting imino- or cyanobarbiturate. (5,5-Disubstituted barbituric acids)

Regulatory status

Inventories, regulations and trade controls that list this substance

Psychotropic substance

Pentobarbital 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

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Pentobarbital 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 Pentobarbital 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 Pentobarbital, based on the data on this page

What is Pentobarbital?

Pentobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and sec-pentyl groups. It has a role as a GABAA receptor agonist.

What is the CAS number of Pentobarbital?

The CAS registry number of Pentobarbital is 76-74-4.

What is the molecular formula and weight of Pentobarbital?

The molecular formula of Pentobarbital is C11H18N2O3 and its molar mass is 226.28 g/mol.

What is Pentobarbital used for?

This is a controlled substance. Therapeutic category: Sedative, hypnotic. Veterinary medication:. Use classes: Pharmaceuticals, Animal Drugs.

Is Pentobarbital hazardous?

Pentobarbital carries the GHS signal word "Danger". Main hazards: toxic if swallowed, suspected of damaging fertility or the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pentobarbital?

Pentobarbital 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 Pentobarbital on CompoundList?

No. Pentobarbital 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 Pentobarbital

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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