Basic information
- CAS
357-67-5- Standard SMILES
CCC1(CC)C(=O)NC(=O)N(c2ccccc2)C1=O- InChIKey
ILORKHQGIMGDFN-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Overview
Phetharbital is a member of barbiturates.
Names & identifiers
- Preferred name
- Phetharbital
- IUPAC
- 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione
- English name
- phetharbital
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
PhetharbitalPhenetharbitalPhenidiemal357-67-5Fetarbital5,5-Diethyl-1-phenylbarbituric acidFetarbitalePhetharbitalumNSC-850435,5-Diethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione52HG53W51EDTXSID30189216
Show more names
Phenylbarbitone1-Phenyl-5,5-diethylbarbituric acid5,5-diethyl-1-phenyl-barbituric acid5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione
NSC85043RefChem:173147DTXCID60111707206-615-2PyrictalFedibarettaN-PhenylbarbitalN-Phenylbarbitone
Database identifiers
- CAS
357-67-5- PubChem CID
- 9650
- DTXSID
DTXSID30189216- ChEMBL
CHEMBL93218- ChEBI
CHEBI:135070- UNII
- 52HG53W51E
- EC Number
- 206-615-2
- Nikkaji
- J5.695B
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Melting point
- 178 ° · 178°
- Boiling point
- 403.55 °C · 403.55°C (rough estimate)
- Density
- 1.1521 · 1.1521 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 7.65 · 7.65±0.10(Predicted)
- FDA UNII
- 52 HG53W51E · 52HG53W51E
- RIDADR
- 3249 · 3249
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
- Toxicity
- 300 mg/kg · mouse,LDLo,intraperitoneal,300mg/kg (300mg/kg),BEHAVIORAL: EXCITEMENTBEHAVIORAL: TREMOR,Journal of Pharmacology and Experimental Therapeutics. Vol. 35, Pg. 155, 1929.
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-phenyl-: Environment tier I assessment
Safety data
- ridadr
- 3249
- Toxicity
- mouse,LDLo,intraperitoneal,300mg/kg (300mg/kg),BEHAVIORAL: EXCITEMENTBEHAVIORAL: TREMOR,Journal of Pharmacology and Experimental Therapeutics. Vol. 35, Pg. 155, 1929.
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Substances that do not act as agonists or antagonists but do affect the GAMMA-AMINOBUTYRIC ACID receptor-ionophore complex. GABA-A receptors (RECEPTORS, GABA-A) appear to have at least three allosteric sites at which modulators act: a site at which BENZODIAZEPINES act by increasing the opening frequency of GAMMA-AMINOBUTYRIC ACID-activated chloride channels; a site at which BARBITURATES act to prolong the duration of channel opening; and a site at which some steroids may act. GENERAL ANESTHETICS probably act at least partly by potentiating GABAergic responses, but they are not included here.
Suppliers1 total
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
Additional notes
DefinitionChEBI: Phetharbital is a member of barbiturates.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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