Compound: Mephobarbital
SMILES: O=C1N(C(=O)C(c2ccccc2)(CC)C(N1)=O)C
InChIKey: ALARQZQTBTVLJV-UHFFFAOYSA-N
Synonyms: Mephobarbital, METHYLPHENOBARBITAL, Mephobarbitone, Metylfenemal, Mebaral, Methylphenobarbitone, Enphenemal, N-Methylphenobarbital, Isonal, Menta-Bal, Phemetone, 115-38-8, Phemiton, 1-Methylphenobarbital, Methylphenobarbitonum, Metilfenobarbital, Methylphenobarbitalum, 5-Ethyl-1-methyl-5-phenylbarbituric acid, N-Methylethylphenylbarbituric acid, N-Methyl-5-phenyl-5-ethylbarbital, Mephobarbital civ, 1-Methyl-5-ethyl-5-phenylbarbituric acid, 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione, 5-Ethyl-1-methyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-phenyl-, 1-Methyl-5-phenyl-5-ethylbarbituric acid, 5-Phenyl-5-ethyl-3-methylbarbituric acid, Barbituric acid, 5-ethyl-1-methyl-5-phenyl-, DTXSID4023258, 5NC67NU76B, CHEBI:6758, DTXCID403258, 5-Ethyl-1-methyl-5-phenyl-pyrimidine-2,4,6-trione, RefChem:925491, N03AA01, 204-085-7, Prominal, Enfenemal, Mephytal, Morbusan, Phemitone, Metyna, Methyl-calminal, N-Methylphenolbarbitol, Methylphenylbarbituric acid, Methylphenolbarbital, Isonal (roussel), Metilfenobarbitale [DCIT], N-Ethylmethylphenylbarbituric acid, Methyl phenobarbitone, Metilfenobarbital [INN-Spanish], Methylphenobarbitalum [INN-Latin], 5-Ethyl-N-methyl-5-phenylbarbituric acid, 5-Ethyl-5-phenyl-N-methyl-bartituric acid, 5-ethyl-1-methyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, Enphenemalum, Methylphenobarbital (INN), Methylphenobarbital [INN], Prominaletten, Prominalum, Meberal, NCGC00159357-02, Mephobarbital [JAN], Metilfenobarbitale, Mebaral (TN), HSDB 3579, Methylphenobarbital (1.0mg/ml in Acetonitrile), EINECS 204-085-7, Mephobarbital (JAN/USP), Mephobarbital [USP:JAN], BRN 0256144, UNII-5NC67NU76B, Mefobarbital;, Mephobarbital;, Enphenemal;, Enfenemal;, Phemitone;, Mentabal;, Mebaral;, DEA No. 2250, Methylphenobarbitone;, N-Methyl-5-phenyl-5-ethylbarbituric acid, Phenobarbital, mono-methyl, MEPHOBARBITAL [MI], (.+/-.)-Mephobarbital, Cambridge id 5240602, MEPHOBARBITAL [HSDB], Oprea1_133475, SCHEMBL35624, MEPHOBARBITAL [VANDF], 5-24-09-00294 (Beilstein Handbook Reference), CHEMBL45029, SCHEMBL11370645, ALARQZQTBTVLJV-UHFFFAOYSA-, Methylphenobarbital CRS - * psy, MEPHOBARBITAL CIV [USP-RS], METHYLPHENOBARBITAL [MART.], METHYLPHENOBARBITAL [WHO-DD], Tox21_111600, MEPHOBARBITAL [USP MONOGRAPH], MFCD00057563, STK732046, AKOS002254670, DB00849, NCGC00159357-03, CAS-115-38-8, METHYLPHENOBARBITAL [EP MONOGRAPH], Methylphenobarbital 0.1 mg/ml in Methanol, Methylphenobarbital 1.0 mg/ml in Methanol, NS00008035, C07829, D00700, Q411697, 1-Methyl-5-ethyl-5-phenyl-pyrimidine-2,4,6-trione, 5-ethyl-1-methyl-5-phenyl-hexahydropyrimidine-2,4,6-trione, Hexahydropyrimidine-2,4,6-trione,1-methyl-5-ethyl-5-phenyl-, Mephobarbital, United States Pharmacopeia (USP) Reference Standard, Methylphenobarbital, European Pharmacopoeia (EP) Reference Standard, pyrimidine-2,4,6(1H,3H,5H)-trione, 5-ethyl-1-methyl-5-phenyl-, Methylphenobarbital, 1.0 mg/mL in methanol, certified reference material, InChI=1/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
Theoretical properties:
molecular_formula: C13H14N2O3
molecular_weight: 246.26 g/mol
exact_mass: 246.10044231 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 2
heavy_atom_count: 18
topological_polar_surface_area: 66.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: White crystals from water
color: White crystals from water
solubility: Slightly soluble
Descriptions:
pubchem: Mephobarbital is a member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups. It has a role as an anticonvulsant.
chebi: A member of the class of barbiturates, the structure of which is that of barbituric acid substituted at N-1 by a methyl group and at C-5 by ethyl and phenyl groups.
chembl: MEPHOBARBITAL is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Methylphenobarbital (INN), also known as mephobarbital (USAN, JAN) and mephobarbitone (BAN), marketed under brand names such as Mebaral, Mephyltaletten, Phemiton, and Prominal, is a drug which is a barbiturate derivative and is used primarily as an anticonvulsant, but also as a sedative and anxiolytic. It is the N-methylated analogue of phenobarbital and has similar indications, therapeutic value, and tolerability.