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Central nervous system drugs

Methohexital

Also known as Methohexitone, Methodrexitone, Metohexital

CAS 151-83-7Formula C14H18N2O3Molar mass 262.31 g/molEC 205-798-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 25 suppliers listed Drug substance
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Methohexital chemical structure, C14H18N2O3, CAS 151-83-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
151-83-7
Formula
C14H18N2O3
Molar mass
262.31 g/mol
EC number
205-798-6
HS code
293359
Category
Central nervous system drugs

What is Methohexital?

Plain description, key identifiers and synonyms

Methohexital is a barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups. It has a role as an intravenous anaesthetic and a drug allergen. It is a member of barbiturates and an acetylenic compound. It is a conjugate acid of a methohexital(1-).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CAS number
151-83-7 CAS number cross-checkedOther or deprecated CAS: 18652-93-2
EC number
205-798-6
Molecular formula
C14H18N2O3
UNII
E5B8ND5IPE
InChIKey
NZXKDOXHBHYTKP-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O3/c1-5-7-8-10(3)14(9-6-2)11(17)15-13(19)16(4)12(14)18/h6,10H,2,5,9H2,1,3-4H3,(H,15,17,19)
SMILES (canonical and isomeric)
CCC#CC(C)C1(C(=O)NC(=O)N(C1=O)C)CC=C

Synonyms

  • Methohexitone
  • Methodrexitone
  • Metohexital
  • Methohexitalum
  • Metoesital
  • 5-Allyl-5-(3-hexyn-2-yl)-1-methylbarbituric acid
  • (+-)-5-Allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid
  • 5-Allyl-1-methyl-5-(1-methyl-2-pentynyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-Allyl-1-methyl-5-(1-methyl-pent-2-ynyl)-pyrimidine-2,4,6-trione
  • 5-(hex-3-yn-2-yl)-1-methyl-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
  • alpha-DL-1-Methyl-5-allyl-5-(1'-methylpentyn-2-yl)barbituric acid
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methyl-2-pentynyl)-5-(2-propenyl)-, (+-)-
  • 5-(hex-3-yn-2-yl)-6-hydroxy-3-methyl-5-(prop-2-en-1-yl)-2,3,4,5-tetrahydropyrimidine-2,4-dione
  • Methohexital, Monosodium Salt
  • Brietal-Sodium
  • Natrium, Brevimytal
  • Sodium, Methohexital
  • Monosodium Salt Methohexital
  • Enallynymall
  • Brietal
  • Compound 22451
  • Compound 25398
  • 5-hex-3-yn-2-yl-1-methyl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
  • Enallynymalum
Show all 33 synonyms
  • Barbituric acid, 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-
  • (+/-)-5-allyl-1-methyl-5-(1-methyl-2-pentynyl)barbituric acid
  • Barbituric acid, 5-allyl-1-methyl-5-(1-methyl-2-pentynyl)-, (.+/-.)-
  • DEA No. 2264
  • Methohexital (Mixture of Diastereomers)
  • Methohexital (USP/INN)
  • Methohexital (Mixture of Diastereomers) (1mg/ml in Acetonitrile)
  • Methohexital civ

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
262.31 g/molcalc.
Exact mass
262.1317 Dacalc.
LogP (octanol/water)
1.31calc.
Topological polar surface area
66.48 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
3calc.
Heavy atoms
19calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.5calc.
Formal charge
0calc.
Stereocentres
2calc.
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)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • 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

Methohexital suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 25 suppliers
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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

25 suppliers in 10 countries

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Methohexital price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Pharmacological actions

  • Anesthetics, Intravenous

Roles

  • aetiopathogenetic role
  • allergen
  • anaesthetic
  • drug allergen
  • general anaesthetic
  • intravenous anaesthetic
  • pharmaceutical

Pharmacology

Methohexital is a Barbiturate.

Regulatory status

Inventories, regulations and trade controls that list this substance

Controls

  • US DEA controlled substance or listed chemical

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 Methohexital is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Methohexital is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Methohexital?

Methohexital is a barbiturate, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by allyl and 1-methylpent-2-ynyl groups. It has a role as an intravenous anaesthetic and a drug allergen. It is a member of barbiturates and an acetylenic compound.

What is the CAS number of Methohexital?

The CAS registry number of Methohexital is 151-83-7. Other or deprecated CAS numbers: 18652-93-2.

What is the molecular formula and weight of Methohexital?

The molecular formula of Methohexital is C14H18N2O3 and its molar mass is 262.31 g/mol.

What is Methohexital used for?

Known uses and roles of Methohexital include cns agents in pharmaceuticals, aetiopathogenetic role, allergen, anaesthetic, drug allergen and 4 more.

Is Methohexital hazardous?

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

What is the HS code of Methohexital?

Methohexital is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Methohexital?

CompoundList lists 25 suppliers of Methohexital in China, United States, Spain, United Kingdom and 6 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Methohexital in India?

2 suppliers in India list Methohexital on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Methohexital?

Suppliers quote Methohexital on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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

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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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