基本情報
- CAS
77-28-1- 標準SMILES
CCCCC1(CC)C(=O)NC(=O)NC1=O- InChIKey
STDBAQMTJLUMFW-UHFFFAOYSA-N- 分子式
- C10H16N2O3
- 平均分子量
- 212.25 g/mol
- 単同位体質量
- 212.11609238
概要
Butobarbital is a member of barbiturates.
名称と識別子
- 優先名称
- Butobarbital
- IUPAC
- 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
- 現地名
- ブトバルビタール
- 英語名
- BUTETHAL--DEA SCHEDULE III ITEM
- 分子式
- C10H16N2O3
- 分子量
- 212.25
名称と別名
ButethalButobarbitalButobarbitoneButobarbituralSonerylNeonalButobarbitalum5-BUTYL-5-ETHYLBARBITURIC ACID77-28-15-Ethyl-5-n-butylbarbituric acid5-Ethyl-5-butylbarbituric acid5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
名称をさらに表示
ソンリール5-エチル-5-ブチルバルビツル酸5-エチル-5-ブチルピリミジン-2,4,6(1H,3H,5H)-トリオンブトバルビトンブテタール5-ブチル-5-エチル-2,4,6(1H,3H,5H)-ピリミジントリオンエトバル5-エチル-5-n-ブチルバルビツル酸5-ブチル-5-エチルバルビツル酸エトーバルブトバルビタールネオナールソネリル5-ブチル-5-エチル-1,3-ジアジナン-2,4,6-トリオンBudormEtovalMeonalMonodormSonerileLonganoctHyperbutal
5-Butyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrioneOHZ8QAW6YCNSC-229336DTXSID70227808butethal, monosodium saltRefChem:122147DTXCID80150299201-019-9
データベース識別子
物性
構造計算による物性
- XLogP
- 1.7
- 極性表面積
- 75.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 279
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
Pharmaceuticals -> Barbiturates
Pharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesCrystal structure
LogP
1.73
1.73
Solubility1.27e+00 g/L
Melting Point128.5 °C
Physical DescriptionSolid
Dissociation Constants7.86
物理化学的性質
- 融点
- 124 · 124-127°
- 沸点
- 352.08 °C · 352.08°C (rough estimate)
- 比重(密度)
- 1.1718 · 1.1718 (rough estimate)
- 屈折率
- 1.455 · 1.4550 (estimate)
- 溶解性
- Methanol (Soluble)
- 外見
- Colourless Solution
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
危険有害性情報
Other Safety InformationIMAP assessments - 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-ethyl-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
毒性情報
Health EffectsThey cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive. They cause slurred speech, disorientation and "drunken" behavior. They are physically and psychologically addictive.
Exposure RoutesRapidly absorbed following oral administration. Parenteral (intraperitroneal injection or infusion).
Toxicity Summary
Butethal binds at a distinct binding site associated with a Cl<sup>-</sup> ionopore at the GABA<sub>A</sub> receptor, increasing the duration of time for which the Cl<sup>-</sup> ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
Pharmacodynamics
Butethal (also known as butobarbitone and butobarbital) belongs to a group of medicines called the barbiturates. It is thought to act on receptors in the brain (GABA receptors) causing the release of the chemical GABA. This chemical inhibits certain areas of the brain resulting in sleepiness.
Mechanism of Action
Butethal binds at a distinct binding site associated with a Cl<sup>-</sup> ionopore at the GABA<sub>A</sub> receptor, increasing the duration of time for which the Cl<sup>-</sup> ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission.
Biological Half-Life37 hours
Metabolism/Metabolites
Hepatic.
Hepatic. Half Life: 37 hours
MeSH Pharmacological ClassificationDrugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Absorption, Distribution and ExcretionRapidly absorbed following oral administration.
Cellular LocationsMembrane
用途と製造
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