기본 정보
- CAS
77-28-1- 표준 SMILES
CCCCC1(CC)C(=O)NC(=O)NC1=O- InChIKey
STDBAQMTJLUMFW-UHFFFAOYSA-N- 분자식
- C10H16N2O3
- 평균 분자량
- 212.25 g/mol
- 단동위원소 질량
- 212.11609238
개요
Butobarbital is a member of barbiturates.
이름 및 식별자
- 우선 이름
- Butobarbital
- IUPAC
- 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
- 영어명
- BUTETHAL--DEA SCHEDULE III ITEM
- 분자식
- C10H16N2O3
- 분자량
- 212.25
이름 및 동의어
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
이름 더 보기
BudormEtovalMeonalMonodormSonerileLonganoctHyperbutal
5-Butyl-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrioneOHZ8QAW6YCNSC-229336DTXSID70227808butethal, monosodium saltRefChem:122147DTXCID80150299201-019-9
데이터베이스 식별자
- CAS
77-28-1- PubChem CID
- 6473
- DTXSID
DTXSID70227808- ChEMBL
CHEMBL404422- ChEBI
CHEBI:134884- UNII
- OHZ8QAW6YC
- EC Number
- 201-019-9
- Nikkaji
- J4.556J
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 75.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 279
실험 및 물리화학적 성질
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
물리화학적 성질
- 녹는점
- 124 · 124-127°
- 끓는 점
- 352.08 °C · 352.08°C (rough estimate)
- 밀도
- 1.1718 · 1.1718 (rough estimate)
- 굴절률
- 1.455 · 1.4550 (estimate)
- 용해도
- Methanol (Soluble)
- 물리적 상태
- 무색 용액
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
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%)
독성 정보
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.
화학 및 산업
약리 정보
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
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