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Central nervous system drugs

Phenobarbital

Also known as Phenobarbitone, Luminal, Phenobarbitol

CAS 50-06-6Formula C12H12N2O3Molar mass 232.24 g/molEC 200-007-0
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant, Serious health hazard Prohibited, not for trade Drug substance
Why it is not for trade
Phenobarbital chemical structure, C12H12N2O3, CAS 50-06-6
2D chemical structure

Key facts

What buyers check first

All properties
Appearance
Crystals (3 different phases)
Melting point
174 °C
Flash point
173.9 °C
Solubility
1 g soluble in: about 1 L water, 8 mL alcohol, 40 mL chloroform, 12 mL ether, about 700…
HS code
293353
Category
Central nervous system drugs
UN number
UN 2811

What is Phenobarbital?

Plain description, key identifiers and synonyms

Phenobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. It has a role as an anticonvulsant, a sedative, an excitatory amino acid antagonist and a drug allergen.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
CAS number
50-06-6 CAS number cross-checked
EC number
200-007-0
Molecular formula
C12H12N2O3
UNII
YQE403BP4D
InChIKey
DDBREPKUVSBGFI-UHFFFAOYSA-N
InChI
InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
SMILES (canonical and isomeric)
CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2

Synonyms

  • Phenobarbitone
  • Luminal
  • Phenobarbitol
  • Fenobarbital
  • Nunol
  • Phenylethylbarbiturate
  • Dormiral
  • Gardenal
  • Gardepanyl
  • Neurobarb
  • Phenobarbituric acid
  • Adonal
  • Agrypnal
  • Barbenyl
  • Barbiphenyl
  • Barbipil
  • Barbivis
  • Cratecil
  • Eskabarb
  • Liquital
  • Lubergal
  • Phenaemal
  • Phenonyl
  • Phenyral
  • Solfoton
Show all 39 synonyms
  • Etilfen
  • Euneryl
  • Noptil
  • Somonal
  • Phenylethylmalonylurea
  • Phenylethylbarbituric acid
  • Aphenylbarbit
  • Aphenyletten
  • Barbophen
  • Bialminal
  • Calmetten
  • Codibarbita
  • Coronaletta
  • Dezibarbitur

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 (3 different phases)exp.
Odour
Odorlessexp.
Taste
Slightly bitter tasteexp.
Melting point
174 °Cexp.
Flash point
173.9 °Cexp.
Solubility
1 g soluble in: about 1 L water, 8 mL alcohol, 40 mL chloroform, 12 mL ether, about 700 mL benzene. Solluble in alkali hydroxides and carbonates.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
232.24 g/molcalc.
Exact mass
232.0848 Dacalc.
LogP (octanol/water)
0.7calc.
Topological polar surface area
75.27 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
17calc.
Rings
2calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.25calc.
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=C1NC(=O)C(c2ccccc2)C(=O)N1

O=C1NC(=O)C(c2ccccc2)C(=O)N1

2 rings, 15 atoms, the 5-Phenylbarbituric acid ring system.

176 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)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H317May cause an allergic skin reaction.
  • H351Suspected of causing cancer.
  • H360May damage fertility or the unborn child.
Precautionary statements (15)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P272Contaminated work clothing should not be allowed out of the workplace.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P318If exposed or concerned, get medical advice.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P333 + P317If skin irritation or rash occurs: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 2811

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

Phenobarbital suppliers

Trading restrictions apply to this substance

Psychotropic substance

Phenobarbital 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

Phenobarbital 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

DEA /schedule IV /controlled substance.

Laboratory reagent. Also available as the sodium salt, which has good water solubility.

Therapeutic category: Anticonvulsant, sedative, hypnotic.

Therapeutic category (veterinary): Anticonvulsant, sedative.

Use classes: Pharmaceuticals, Animal Drugs.

Pharmacological actions

  • Anticonvulsants
  • Cytochrome P-450 CYP2B6 Inducers
  • Cytochrome P-450 CYP3A Inducers
  • Excitatory Amino Acid Antagonists
  • GABA Modulators
  • Hypnotics and Sedatives

Roles

  • aetiopathogenetic role
  • allergen
  • antagonist
  • anticonvulsant
  • antidepressant
  • antineoplastic agent
  • antipsychotic agent
  • anxiolytic drug
  • central nervous system depressant
  • central nervous system drug
  • drug allergen
  • excitatory amino acid antagonist
  • pharmaceutical
  • psychotropic drug
  • sedative
  • tranquilizing drug

Pharmacology

Phenobarbital is a long-acting barbituric acid derivative with antipsychotic property. Phenobarbital binds to and activates the gamma-aminobutyric acid (GABA)-A receptor, thereby mimicking the inhibitory actions of GABA in the brain. The activation effects of the phenobarbital-receptor-ionophore complex include increased frequency of chloride channel openings, membrane hyperpolarization and ultimately synaptic inhibition and decreased neuronal excitability. In addition, this agent inhibits glutamate induced depolarization.

How it is made

Phenylmalonic acid + ethyl bromide + urea (esterification/dehydrobromination/cyclization)

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

Phenobarbital 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 Phenobarbital 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 Phenobarbital 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 Phenobarbital, based on the data on this page

What is Phenobarbital?

Phenobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at C-5 by ethyl and phenyl groups. It has a role as an anticonvulsant, a sedative, an excitatory amino acid antagonist and a drug allergen.

What is the CAS number of Phenobarbital?

The CAS registry number of Phenobarbital is 50-06-6.

What is the molecular formula and weight of Phenobarbital?

The molecular formula of Phenobarbital is C12H12N2O3 and its molar mass is 232.24 g/mol.

What is Phenobarbital used for?

DEA /schedule IV /controlled substance. Laboratory reagent. Also available as the sodium salt, which has good water solubility. Therapeutic category: Anticonvulsant, sedative, hypnotic. Therapeutic category (veterinary): Anticonvulsant, sedative. Use classes: Pharmaceuticals, Animal Drugs.

Is Phenobarbital hazardous?

Phenobarbital carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may cause an allergic skin reaction, suspected of causing cancer. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Phenobarbital?

Phenobarbital 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 Phenobarbital on CompoundList?

No. Phenobarbital 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 Phenobarbital

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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