クロメチアゾール

Clomethiazole

HCID 10783CAS 533-45-9

基本情報

標準SMILES
Cc1ncsc1CCCl
InChIKey
PCLITLDOTJTVDJ-UHFFFAOYSA-N
分子式
C6H8ClNS
平均分子量
161.65 g/mol
単同位体質量
161.00659794

概要

5-(2-chloroethyl)-4-methylthiazole is a member of thiazoles.

名称と識別子

優先名称
Clomethiazole
IUPAC
5-(2-chloroethyl)-4-methyl-1,3-thiazole
現地名
クロメチアゾール
英語名
Clomethiazole
分子式
C6H8ClNS
分子量
161.65

名称と別名

Clomethiazole533-45-9Chlormethiazole5-(2-CHLOROETHYL)-4-METHYLTHIAZOLEClomethiazolum5-(2-Chloroethyl)-4-methyl-1,3-thiazoleClometiazolThiazole, 5-(2-chloroethyl)-4-methyl-ClometiazoloDistraneurineDTXSID60228420C5DBZ19HV
名称をさらに表示
クロルメチアゾール4-メチル-5-(2-クロロエチル)チアゾール5-(2-クロロエチル)-4-メチルチアゾールクロメチアゾリウムジストラネウリンエミネウリナソムネブリンクロルエチアゾールクロメチアゾールクロメチアゾラム5-(2-クロロエチル)-4-メチル-1,3-チアゾールChlorethiazoleClomethiazole 98%ChlormethiazoleHClCLOMETHIAZOLE HCLClomethiazole in methanolClomethiazole, 10 mM in DMSO
DTXCID802842clomAtiazoleRefChem:388876N05CM02208-565-7DistraneurinEmineurinaChlorethiazol

データベース識別子

CAS
533-45-9
PubChem CID
10783
DTXSID
DTXSID6022842
ChEMBL
CHEMBL315795
ChEBI
CHEBI:92875
UNII
0C5DBZ19HV
EC Number
208-565-7
Nikkaji
J6.328B

物性

構造計算による物性

XLogP
2.1
極性表面積
41.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
2
重原子数
9

実験および物理化学的性質

Drugs · 5 件

DEA NFLIS-Drug Category -> Depressants and Tranquilizers

Pharmaceuticals -> Hypnotics

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Used in Switzerland

Pharmaceuticals

物理化学的性質

融点
127 · 127-128 °C
沸点
7 · bp7 92°
比重(密度)
425 · d425 1.233
屈折率
1.6 · 1.6000 (estimate)
貯蔵温度
2 · Inert atmosphere,2-8°C
溶解性
クロロホルム(微量)、メタノール(微量)

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

毒性情報

Drug Induced Liver Injury · 4 件

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

CLOMETHIAZOLE

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

安全データ

hs_code
2934100090

化学と産業

薬理情報

ATC Code · 2 件

N - Nervous system

QN - Nervous system

Mechanism of Action · 1 件

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 · 4 件

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.

用途と製造

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

応用分野

使用Hypnotic.

上流・下流製品情報

サプライヤー50 社

湖南韵邦生物科技股份有限公司85561037 15386497078 · [email protected]
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]

関連反応

3 件

関連ノート

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