클로메티아졸

Clomethiazole

HCID 10783CAS 533-45-9

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

Clomethiazole533-45-9Chlormethiazole5-(2-CHLOROETHYL)-4-METHYLTHIAZOLEClomethiazolum5-(2-Chloroethyl)-4-methyl-1,3-thiazoleClometiazolThiazole, 5-(2-chloroethyl)-4-methyl-ClometiazoloDistraneurineDTXSID60228420C5DBZ19HV
이름 더 보기
클로메티아졸ChlorethiazoleClomethiazole 98%ChlormethiazoleHClCLOMETHIAZOLE HCLClomethiazole in methanolClomethiazole, 10 mM in DMSO
DTXCID802842clomAtiazoleRefChem:388876N05CM02208-565-7DistraneurinEmineurinaChlorethiazol

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

실험 및 물리화학적 성질

Drugs · 5건

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)

안전 및 규제

GHS 분류

GHS Classification · 4건

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

Hazard Classes and CategoriesAcute Tox. 4 (100%)

독성 정보

Drug Induced Liver Injury · 4건

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 · 2건

N - Nervous system

QN - Nervous system

Mechanism of Action · 1건

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

Metabolism/MetabolitesClomethiazole has known human metabolites that include NLA-715.
MeSH Pharmacological Classification · 4건

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

UsesUse (kg; approx.) in Germany (2009): >2500

응용 분야

용도Hypnotic.

상·하류 제품 정보

공급사50 곳

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南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

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