Clomethiazol

Clomethiazole

HCID 10783

Grundinformationen

CAS
533-45-9
Standard-SMILES
Cc1ncsc1CCCl
InChIKey
PCLITLDOTJTVDJ-UHFFFAOYSA-N
Summenformel
C6H8ClNS
Durchschnittliche Molmasse
161,65 g/mol
Monoisotopische Masse
161,00659794

Überblick

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

Namen und Bezeichner

Bevorzugter Name
Clomethiazole
IUPAC
5-(2-chloroethyl)-4-methyl-1,3-thiazole
Lokaler Name
Clomethiazol
Englischer Name
Clomethiazole
Summenformel
C6H8ClNS
Molmasse
161.65

Namen und Synonyme

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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,1
Polarare Oberfläche (TPSA)
41,1 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
2
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Drugs · 5 Einträge

DEA NFLIS-Drug Category -> Depressants and Tranquilizers

Pharmaceuticals -> Hypnotics

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Used in Switzerland

Pharmaceuticals

Physikochemische Eigenschaften

Schmelzpunkt
127 · 127-128 °C
Siedepunkt
7 · bp7 92°
Dichte
425 · d425 1.233
Brechungsindex
1.6 · 1.6000 (estimate)
storage temp.
2 · Inert atmosphere,2-8°C
Löslichkeit
Chloroform (Slightly), Methanol (Slightly)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Toxikologische Informationen

Drug Induced Liver Injury · 4 Einträge

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

CLOMETHIAZOLE

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

Sicherheitsdaten

hs_code
2934100090

Chemie und Industrie

Pharmakologische Informationen

ATC Code · 2 Einträge

N - Nervous system

QN - Nervous system

Mechanism of Action · 1 Eintrag

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 Einträge

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.

Verwendung und Herstellung

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

Anwendungen

VerwendenHypnotic.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter91 Anbieter

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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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