HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Clomethiazol
Distraneurin · CLOMETHIAZOLE · Clomethiazolum · Chlorethiazole · chlormethiazole · Clomethiazole 98% · ChlormethiazoleHCl · CLOMETHIAZOLE HCL
Identifikatoren & physikalische Daten
| CAS No. | 533-45-9 |
|---|---|
| Summenformel | C6H8ClNS |
| Durchschnittliche Molmasse | 161,65 g/mol |
| Monoisotopische Masse | 161,00659794 g/mol |
| SMILES | Cc1ncsc1CCCl |
| InChIKey | PCLITLDOTJTVDJ-UHFFFAOYSA-N |
| PubChem CID | 10783 |
| ChEMBL | CHEMBL315795 |
| ChEBI | CHEBI:92875 |
| EC No. | 208-565-7 |
| DTXSID | DTXSID6022842 |
| Lokaler Name | Clomethiazol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 89,1 |
| Arzneimittel | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> HypnoticsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Used in Switzerland |
| Schmelzpunkt | 127-128 °C |
| Siedepunkt | bp7 92° |
| Dichte | d425 1.233 |
| Brechungsindex | 1.6000 (estimate) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | pKa 3.2 (Uncertain) |
| Aggregatzustand | Oil |
| Farbe | Pale Yellow |
| CAS Datenbank | 533-45-9(CAS DataBase Reference) |
| NIST chemische Informationen | Clomethiazole(533-45-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)CLOMETHIAZOLEDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Zollcode | 2934100090 |
Anwendungen & Verwendung
Verwenden
Hypnotic.