Aprobarbital

Molecular structure via molpic based on CDK

Conformer []

Conformer structure via JSmol

Physical properties []
Molecular mass	210.23 g/mol ^[1]
Appearance	CRYSTALS ^[1]
Taste	SLIGHTLY BITTER ^[1]
Melting point	140-141.5 °C ^[1]
Decomposition	When heated to decomp it emits toxic fumes of oxides of nitrogen. /Aprobarbital sodium/ ^[1]
Solubility	POWDER; HYGROSCOPIC; SLIGHTLY BITTER TASTE; VERY SOL IN WATER; SLIGHTLY SOL IN ALC; PRACTICALLY INSOL IN ETHER; AQ SOLN ARE ALKALINE TO LITMUS /APROBARBITAL SODIUM SALT/ ^[1]
Predicted LogP	1.1 ^[1]

Structural Identifiers []
Molecular formula	C₁₀H₁₄N₂O₃ ^[1]
IUPAC name	5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione ^[1]
SMILES	CC(C)C1(C(=O)NC(=O)NC1=O)CC=C ^[1]
InChI	InChI=1S/C10H14N2O3/c1-4-5-10(6(2)3)7(13)11-9(15)12-8(10)14/h4,6H,1,5H2,2-3H3,(H2,11,12,13,14,15) ^[1]
InChIKey	UORJNBVJVRLXMQ-UHFFFAOYSA-N ^[1]

Aprobarbital

Aprobarbital (also known as Allypropymal, Alurate, Allylpropymal, Aprobarbitone, Allonal, Allional, Aprozal, Numal, Allylisopropylmalonylurea or 5-Allyl-5-isopropylbarbituric acid) is a substance of the barbiturate class.

Chemistry

Stereochemistry []

Aprobarbital is a achiral mixture

Legal status []

Brazil: Aprobarbital is a B1 substance.^[3]
Canada: Aprobarbital is a Schedule IV substance.

External links []

References []

National Center for Biotechnology Information. PubChem Compound Summary for CID 6464, Aprobarbital. Accessed July 13, 2025. https://pubchem.ncbi.nlm.nih.gov/compound/6464
U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Aprobarbital. UNII: Q0YKG9L6RF. Global Substance Registration System. Accessed July 13, 2025. https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Q0YKG9L6RF
Anvisa. RDC Nº 784 - Listas de Substâncias Entorpecentes, Psicotrópicas, Precursoras e Outras sob Controle Especial. Diário Oficial da União. March 31, 2023. Accessed July 13, 2025. https://www.in.gov.br/en/web/dou/-/resolucao-rdc-n-784-de-31-de-marco-de-2023-474904992

Anodyne