CAS Number533-45-9
SynonymsClomethiazole; Emineurina; Clomethiazol; Chlormethiazole; MFCD00868012; Distraneurin; Clometiazole; Chlormethiazol; Clomethiazolum; EINECS 208-565-7
Molecular FormulaC6H8N1Cl1S1
Molecular Weight161.65
Purity98.00%
Density1.218 g/cm3
Boiling Point245.8ºC at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 533-45-9 |
| Catalog No. | 2A-9022643 |
| Chinese Name | 氯美噻唑 |
| Synonyms | Clomethiazole; Emineurina; Clomethiazol; Chlormethiazole; MFCD00868012; Distraneurin; Clometiazole; Chlormethiazol; Clomethiazolum; EINECS 208-565-7 |
| Molecular Formula | C6H8N1Cl1S1 |
| Molecular Weight | 161.65 |
| Purity | 98.00 |
| Density | 1.218 g/cm3 |
| Boiling Point | 245.8ºC at 760 mmHg |
| Storage Condition | Warehouse low temperature ventilation and drying |
| Application | Chlormethiazole is a potent oral GABAA agonist. Chlormethiazole also inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole has anticonvulsant properties and h |
| HTC | 2934100090 |
| MDL Number | MFCD00868012 |
| SMILES | Cc1ncsc1CCCl |
| InChI | InChI=1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3 |
| InChI Key | PCLITLDOTJTVDJ-UHFFFAOYSA-N |
| MSDS | msds/22643_1_533_45_9.pdf |
| Use of | Chlormethiazole is an potent and orally active GABAA agonist[1]. Chlormethiazole inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole is an anticonvulsant agent and has the potential for treating convulsive status epilepticus[2]. Properties Name 5-(2-chloroethyl)-4-methyl-1,3-thiazole Synonym More Synonyms Clomethiazole Biological Activity Description Chlormethiazole is an potent and orally active GABAA agonist[1]. Chlormethiazole inhibits cytochrome P450 isoforms: CYP2A6 and CYP2E1 in human liver microsomes. Chlormethiazole is an anticonvulsant agent and has the potential for treating convulsive status epilepticus[2]. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Signaling Pathways >> Membrane Transporter/Ion Channel >> GABA Receptor Research Areas >> Neurological Disease Signaling Pathways >> Neuronal Signaling >> GABA Receptor References [1]. Nelson RM, et al.Electrophysiological actions of gamma-aminobutyric acid and clomethiazole on recombinant GABA(A) receptors.Eur J Pharmacol. 2002 Oct 11;452(3):255-62. [2]. Stresser DM, et al. Selective Time- and NADPH-Dependent Inhibition of Human CYP2E1 by Clomethiazole.Drug Metab Dispos. 2016 Aug;44(8):1424-30 Chemical & Physical Properties Exact Mass 196.98300 PSA 41.13000 LogP 3.03480 InChIKey PCLITLDOTJTVDJ-UHFFFAOYSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Thiazole, 5-(2-chloroethyl)-4-methyl- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C6-H8-Cl-N-S MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T5N CSJ D2G E1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,167,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 8,39,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : APSXAS Acta Pharmaceutica Suecica. (Apotekarsocieteten-Farmacevtiska Foereningen, Box 1136, S-111, 81 Stockholm, Sweden) V.1- 1964- Volume(issue)/page/year: 7,423,1970 Safety Information HS Code 2934100090 Synthetic Route CAS#:137-00-8 Clomethiazole CAS#:533-45-9 Literature: Van den Hoven; Alper Journal of the American Chemical Society, 2001 , vol. 123, # 6 p. 1017 - 1022 5-(2-ETHOXYETHY... CAS#:853261-35-5 Clomethiazole CAS#:533-45-9 Literature: Journal of the American Chemical Society, , vol. 57, p. 1879 2-Pentanone,3-c... CAS#:663179-27-9 Clomethiazole CAS#:533-45-9 Literature: Journal of the American Chemical Society, , vol. 57, p. 1879 Precursor & DownStream Precursor 5 CAS#:137-00-8 CAS#:853261-35-5 5-(2-ETHOXYETHY... CAS#:663179-27-9 2-Pentanone,3-c... CAS#:13045-13-1 3-chloro-5-hydr... DownStream 2 CAS#:1759-28-0 5-Ethenyl-4-met... CAS#:58981-35-4 2-(4-Methyl-1,3... |
| Tax Rebate | 9.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0% |
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