Compound: APROBARBITAL
SMILES: O=C1NC(=O)C(C(C)C)(CC=C)C(N1)=O
InChIKey: UORJNBVJVRLXMQ-UHFFFAOYSA-N
Synonyms: APROBARBITAL, Allypropymal, Alurate, Allylpropymal, Aprobarbitone, Allonal, Allional, Aprozal, Numal, Alurate elixir verdum, 77-02-1, 5-Allyl-5-isopropylbarbituric acid, Allylisopropylmalonylurea, Isopropylallylbarbituric acid, 5-Isopropyl-5-allylbarbituric acid, Allylisopropylbarbituric acid, Aprobarbitalum, Barbituric acid, 5-allyl-5-isopropyl-, Q0YKG9L6RF, 5-(1-Methylethyl)-5-(2-propenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, NSC-120769, DTXSID8022616, 5-allyl-5-isopropylpyrimidine-2,4,6(1H,3H,5H)-trione, CHEBI:2791, 5-(prop-2-en-1-yl)-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione, RefChem:113550, DTXCID102616, N05CA05, 200-997-4, Aprobarbita, 5-Allyl-5-isopropylbarbiturate, NSC 120769, Aprobarbital (INN), 5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione, NSC120769, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-, Allypropymalum, Isonal (swedish), Aprobarbitale, Aprobarbitale [DCIT], APROBARBITAL [INN], Aprobarbitalum [INN-Latin], Aprobarbital (1.0 mg/ml in Methanol), Alurate (TN), CCRIS 7088, HSDB 3290, EINECS 200-997-4, UNII-Q0YKG9L6RF, BRN 0180858, Aprobarbital [INN:DCF:NF], APROBARBITAL [MI], APROBARBITAL [HSDB], APROBARBITAL [VANDF], CHEMBL7863, SCHEMBL78101, APROBARBITAL [MART.], APROBARBITAL [WHO-DD], SCHEMBL15364625, SCHEMBL22556213, Aprobarbital (1 mg/ml in Methanol), HY-U00166, 5-(1-methylethyl)-5-prop-2-en-1-ylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-(propan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4,6(1H,3H,5H)-trione, AKOS003404772, CS-7223, DB01352, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)- (9CI), WLN: T6VMVMV FHJ FY1&1 F2U1, ST095734, NS00005163, C07826, D00698, Q411940, 5-Allyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione, pyrimidine-2,4,6(1H,3H,5H)-trione, 5-allyl-5-isopropyl-, 5-(Propan-2-yl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione, 2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(2-propenyl)-, 5-(methylethyl)-5-prop-2-enyl-1,3,5-trihydropyrimidine-2,4,6-trione
Theoretical properties:
molecular_formula: C10H14N2O3
molecular_weight: 210.23 g/mol
exact_mass: 210.10044231 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 15
topological_polar_surface_area: 75.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: CRYSTALS
color: CRYSTALS
Descriptions:
pubchem: Aprobarbital is a member of the class of barbiturates that is pyrimidine-2,4,6(1H,3H,5H)-trione substituted by an isopropyl and a prop-1-en-3-yl group at position 5.
chebi: A member of the class of  barbiturates that is pyrimidine-2,4,6(1<em>H</em>,3<em>H</em>,5<em>H</em>)-trione substituted by an isopropyl and a  prop-1-en-3-yl group at position 5.
chembl: APROBARBITAL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Aprobarbital (or aprobarbitone), sold under the brand names Oramon, Somnifaine, and Allonal, is a barbiturate derivative invented in the 1920s by Ernst Preiswerk. It has sedative, hypnotic, and anticonvulsant properties, and was used primarily for the treatment of insomnia.  Aprobarbital was never as widely used as more common barbiturate derivatives such as phenobarbital and is now rarely prescribed. It has been largely replaced by newer drugs with a better safety margin.