Clomethiazole hydrochlorideProduct ingredient for Clomethiazole
- Name
- Clomethiazole hydrochloride
- Drug Entry
- Clomethiazole
Clomethiazole is a well-established γ-aminobutyric acid (GABAA)-mimetic drug. It is a sedative and hypnotic that is widely used in treating and preventing symptoms of acute alcohol withdrawal. It is a drug which is structurally related to thiamine (vitamin B1) but acts like a sedative, hypnotic, muscle relaxant and anticonvulsant. It is also used for the management of agitation, restlessness, short-term insomnia and Parkinson's disease in the elderly.
- Accession Number
- DBSALT002018
- Structure
Structure for Clomethiazole hydrochloride (DBSALT002018)
- Synonyms
- Clomethiazole HCl
- UNII
- 85223EMG44
- CAS Number
- 6001-74-7
- Weight
- Average: 198.11
Monoisotopic: 196.9832759 - Chemical Formula
- C6H9Cl2NS
- InChI Key
- OFXYKSLKNMTBHK-UHFFFAOYSA-N
- InChI
- InChI=1S/C6H8ClNS.ClH/c1-5-6(2-3-7)9-4-8-5;/h4H,2-3H2,1H3;1H
- IUPAC Name
- 5-(2-chloroethyl)-4-methyl-1,3-thiazole hydrochloride
- SMILES
- Cl.CC1=C(CCCl)SC=N1
- External Links
- ChemSpider
- 14058501
- Predicted Properties
Property Value Source Water Solubility 0.674 mg/mL ALOGPS logP 2.47 ALOGPS logP 1.77 Chemaxon logS -2.4 ALOGPS pKa (Strongest Basic) 3.18 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 12.89 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 40.37 m3·mol-1 Chemaxon Polarizability 16.14 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon