기본 정보
- 표준 SMILES
Cc1ncsc1CCCl- InChIKey
PCLITLDOTJTVDJ-UHFFFAOYSA-N- 분자식
- C6H8ClNS
- 평균 분자량
- 161.65 g/mol
- 단동위원소 질량
- 161.00659794
개요
5-(2-chloroethyl)-4-methylthiazole is a member of thiazoles.
이름 및 식별자
- 우선 이름
- Clomethiazole
- IUPAC
- 5-(2-chloroethyl)-4-methyl-1,3-thiazole
- 현지명
- 클로메티아졸
- 영어명
- Clomethiazole
- 분자식
- C6H8ClNS
- 분자량
- 161.65
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
533-45-9- PubChem CID
- 10783
- DTXSID
DTXSID6022842- ChEMBL
CHEMBL315795- ChEBI
CHEBI:92875- UNII
- 0C5DBZ19HV
- EC Number
- 208-565-7
- Nikkaji
- J6.328B
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 41.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 9
- 형식 전하
- 0
- 복잡도
- 89.1
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Depressants and Tranquilizers
Pharmaceuticals -> Hypnotics
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Used in Switzerland
Pharmaceuticals
물리화학적 성질
- 녹는점
- 127 · 127-128 °C
- 끓는 점
- 7 · bp7 92°
- 밀도
- 425 · d425 1.233
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 2 · Inert atmosphere,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 3.2 · pKa 3.2 (Uncertain)
- 물리적 상태
- 기름
- 색상
- 옅은 노랑
- NIST
- Clomethiazole(533-45-9)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
CLOMETHIAZOLE
DILI Positive
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- HS 번호
- 2934100090
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
Mechanism of Action
clomethiazole interacts with the GABAA receptor complex. It inhibits the binding of [35S]butyl-bicyclophosphorothionate (TBPS), an effect indicative of GABAA receptor-channel activation, by increasing the rate of [35S]TBPS dissociation and decreasing the binding affinity. Gamma-aminobutyric acid (GABA), acting at GABAA receptors, is the main fast inhibitory neurotransmitter in mammalian central nervous system
MeSH Pharmacological Classification
Drugs used to prevent SEIZURES or reduce their severity.
Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
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.
용도 및 제조
응용 분야
용도Hypnotic.
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
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