Compound: Hexobarbital
SMILES: O=C1N(C(=O)C(C2=CCCCC2)(C)C(N1)=O)C
InChIKey: UYXAWHWODHRRMR-UHFFFAOYSA-N
Synonyms: Hexobarbital, Hexobarbitone, Methexenyl, Methylhexabital, 56-29-1, 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, AL8Z8K3P6S, NSC-71929, DTXSID9023122, CHEBI:5706, DTXCID903122, 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, RefChem:389046, hexenalum (for the sodium-salt), N01AF02, N05CA16, 200-264-9, Barbidorm, Noctivane, Citopan, Cyclopan, Cyclonal, Narcosan, 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, NSC 71929, 5-(1-Cyclohexenyl-1)-1-methyl-5-methylbarbituric acid, 5-(cyclohexen-1-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, Barbituric acid, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, Enhexymalum, 5-(cyclohex-1-en-1-yl)-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, NCGC00159430-02, NCGC00159430-03, NCGC00159430-04, Hexobarbital (VAN), Esobarbitale [DCIT], Esobarbitale [Italian], Hexobarbitalum [INN-Latin], 5-(.delta.-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure, CAS-56-29-1, EINECS 200-264-9, Hexobarbital (JAN/INN), UNII-AL8Z8K3P6S, AI3-61892, Hexobarbital [USP:INN:BAN:JAN], 5-(delta-1,2-Cyclohexenyl)-5-methyl-N-methyl-barbitursaeure [German], (+/-)-Hexobarbital, 5-(delta-1,2-cyclohexenyl)-5-methyl-N-methyl-barbitursaeure, HEXOBARBITAL [MI], HEXOBARBITAL [INN], HEXOBARBITAL [JAN], Barbituric acid,5-dimethyl-, CHEMBL7728, HEXOBARBITAL [VANDF], Oprea1_350917, SCHEMBL29821, HEXOBARBITAL [MART.], MLS001143909, HEXOBARBITAL [WHO-DD], Hexobarbital, 1mg/ml in Methanol, HEXOBARBITAL [EP IMPURITY], HMS2272K03, AAA05629, NSC71929, Hexobarbital 1.0 mg/ml in Methanol, Tox21_111661, Tox21_111662, STK696034, 5-cyclohex-1-en-1-yl-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-cyclohex-1-en-1-yl-2-hydroxy-1,5-dimethylpyrimidine-4,6(1H,5H)-dione, AKOS000355976, AKOS016347605, Tox21_111661_1, DB01355, AC-16076, SMR000473348, DB-052887, NS00004868, WLN: T6VMVNV FHJ D1 F1 F- AL6UTJ, D01071, 5-(Cyclohexen-1-yl)-1,5-dimethylbarbitursaeure, 5-(Cyclohexen-1-yl)-1,5-dimethylbarbituric acid, Q421183, 5-cyclohexenyl-1,5-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, Hexobarbital, United States Pharmacopeia (USP) Reference Standard, 2,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-, pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(1-cyclohexen-1-yl)-1,5-dimethyl-
Theoretical properties:
molecular_formula: C12H16N2O3
molecular_weight: 236.27 g/mol
exact_mass: 236.11609238 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 17
topological_polar_surface_area: 66.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 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.
chebi: 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.
chembl: HEXOBARBITAL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Hexobarbital or hexobarbitone, sold both in acid and sodium salt forms as Citopan, Evipan, and Tobinal, is a barbiturate derivative having hypnotic and sedative effects. It was used in the 1940s and 1950s as an agent for inducing anesthesia for surgery, as well as a rapid-acting, short-lasting hypnotic for general use, and has a relatively fast onset of effects and short duration of action. Modern barbiturates (such as Thiopental) have largely supplanted the use of hexobarbital as an anesthetic, as they allow for better control of the depth of anesthesia. Hexobarbital is still used in some scientific research.