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Heterocyclic building blocks

Hexobarbital

Also known as Hexobarbitone, Methexenyl, Methylhexabital

CAS 56-29-1Formula C12H16N2O3Molar mass 236.27 g/molEC 200-264-9
GHS signal word: Warning. Pictograms: Harmful or irritant Prohibited, not for trade
Why it is not for trade
Hexobarbital chemical structure, C12H16N2O3, CAS 56-29-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
56-29-1
Formula
C12H16N2O3
Molar mass
236.27 g/mol
EC number
200-264-9
HS code
293359
Category
Heterocyclic building blocks

What is Hexobarbital?

Plain description, key identifiers and synonyms

Hexobarbital is a member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. It is functionally related to a barbituric acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
CAS number
56-29-1 CAS number cross-checkedOther or deprecated CAS: 50-09-9
EC number
200-264-9
Molecular formula
C12H16N2O3
UNII
AL8Z8K3P6S
InChIKey
UYXAWHWODHRRMR-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O3/c1-12(8-6-4-3-5-7-8)9(15)13-11(17)14(2)10(12)16/h6H,3-5,7H2,1-2H3,(H,13,15,17)
SMILES (canonical and isomeric)
CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2

Synonyms

  • Hexobarbitone
  • Methexenyl
  • Methylhexabital
  • Evipal
  • Evipan
  • Sombucaps
  • Sombulex
  • Enhexymal
  • Hexobarbitalum
  • Hexobarbitonum
  • 5-(1-Cyclohexen-1-yl)-1,5-dimethylbarbituric acid
  • Hexobarbital ciii
  • 5-(1-Cyclohexen-1-yl)-1,5-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
  • 5-(cyclohex-1-en-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
  • 5-Cyclohex-1-enyl-1,5-dimethyl-pyrimidine-2,4,6-trione
  • (+-)-Hexobarbital
  • esobarbital
  • Hexobarbital, Sodium
  • hexenalum (for the sodium-salt)
  • Barbidorm
  • Noctivane
  • Citopan
  • Cyclopan
  • Cyclonal
  • Narcosan
Show all 38 synonyms
  • Somnalert
  • Citodon
  • Methylhexabarbital
  • Hexabarbital
  • Dorico
  • Hexanastab oral
  • Hexenal (barbiturate)
  • Esobarbitale
  • N-Methyl-5-cyclohexenyl-5-methylbarbituric acid
  • 1,5-Dimethyl-5-(1-cyclohexenyl)barbituric acid
  • 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione
  • 5-(1-Cyclohexenyl-1)-1-methyl-5-methylbarbituric acid
  • 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-

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
236.27 g/molcalc.
Exact mass
236.1161 Dacalc.
LogP (octanol/water)
1.2calc.
Topological polar surface area
66.48 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.58calc.
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=C1NC(=O)C(C2=CCCCC2)C(=O)N1

O=C1NC(=O)C(C2=CCCCC2)C(=O)N1

2 rings, 15 atoms.

17 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

Hexobarbital suppliers

Trading restrictions apply to this substance

Psychotropic substance

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

Hexobarbital

Reference: UN 1971 Convention on Psychotropic Substances

Our policy on controlled substances

Hexobarbital 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

Pharmacological actions

  • GABA Modulators
  • Hypnotics and Sedatives

Regulatory status

Inventories, regulations and trade controls that list this substance

Psychotropic substance

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

Hexobarbital

Reference: UN 1971 Convention on Psychotropic Substances

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Hexobarbital 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 Hexobarbital is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Hexobarbital?

Hexobarbital is a member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. It is functionally related to a barbituric acid.

What is the CAS number of Hexobarbital?

The CAS registry number of Hexobarbital is 56-29-1. Other or deprecated CAS numbers: 50-09-9.

What is the molecular formula and weight of Hexobarbital?

The molecular formula of Hexobarbital is C12H16N2O3 and its molar mass is 236.27 g/mol.

What is Hexobarbital used for?

Known uses and roles of Hexobarbital include building blocks in research and laboratory, screening compounds in research and laboratory, gaba modulators and hypnotics and sedatives.

Is Hexobarbital hazardous?

Hexobarbital 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 Hexobarbital?

Hexobarbital 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.

Can I buy Hexobarbital on CompoundList?

No. Hexobarbital 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 Hexobarbital

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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