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Benzonal

HCID 12938
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Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
744-80-9
Standard SMILES
CCC1(c2ccccc2)C(=O)NC(=O)N(C(=O)c2ccccc2)C1=O
InChIKey
QMOWPJIFTHVQMB-UHFFFAOYSA-N
Molecular formula
C19H16N2O4
Average molar mass
336.3 g/mol
Monoisotopic mass
336.111007

Overview

for drug therapy of epilepsy

Names & identifiers

Preferred name
Benzonal
IUPAC
1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
English name
Benzobarbital
Molecular formula
C19H16N2O4
Molecular weight
336.34

Names & synonyms

Benzobarbital744-80-9BenzonalBenzoylluminalBenzonalumBenzobarbitalum1-Benzoyl-5-ethyl-5-phenylbarbituric acidDTXSID1046138YNJ78BD0AH5-Ethyl-1-benzoyl-5-phenylbarbituric acidDTXCID9026138RefChem:118260
Show more names
BenzobarbitaBENZOBARBITONEBenzoyl phenobarbitonePhenobarbital Impurity 151-benzoyl-5-ethyl-5-phenylbarbituricacid
BenzoylphenobarbitalBenzoyluminal1-benzoyl-5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trioneBenzobarbital [INN]2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-benzoyl-5-ethyl-5-phenyl-BARBITURIC ACID, 1-BENZOYL-5-ETHYL-5-PHENYL-1-Benzoyl-5-ethyl-5-phenyl-2,4,6-trioxohexahydropyrimidineNCGC00160414-01

Database identifiers

CAS
744-80-9
PubChem CID
12938
DTXSID
DTXSID1046138
ChEMBL
CHEMBL1338506
UNII
YNJ78BD0AH
Nikkaji
J6.961B

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
83.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
25
Formal charge
0
Complexity
576

Experimental & physicochemical properties

DrugsPharmaceutical

Physicochemical properties

Melting point
134.5 °C · 134.5°C
Boiling point
472.83 °C · 472.83°C (rough estimate)
Density
1.3097 · 1.3097 (rough estimate)
refractive index
1.57 · 1.5700 (estimate)
pka
6.41 · 6.41±0.10(Predicted)
form
Solid
FDA UNII
78 BD0AH · YNJ78BD0AH
RIDADR
3249 · 3249
HazardClass
6.1 · 6.1(b)
PackingGroup
III
Toxicity
20 mg/kg · dlt-mus-orl 20 mg/kg CYGEDX 10(2),1,76

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

ridadr
3249
Toxicity
dlt-mus-orl 20 mg/kg CYGEDX 10(2),1,76
hazard_class
6.1(b)
packing_group
III

Chemistry & industry

Pharmacology

MeSH Pharmacological Classification · 4 items

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade.

Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.

Drugs used to prevent SEIZURES or reduce their severity.

Drugs used to protect against ionizing radiation. They are usually of interest for use in radiation therapy but have been considered for other purposes, e.g. military.

Applications

Usesis used in preparation method and composition for treating epilepsy including administering a Cholecystokinin-2 receptor antagonist and combination with antiepileptic agents.

Upstream & downstream products

Upstream raw materials

PhenobarbitalBenzoyl chloride

Suppliers68 total

上海沛灵生物科技有限公司13127581762 13127581762 · [email protected]

Related reactions

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Compound notes

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苏州市森菲达化工有限公司
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