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Substance Name: Clomethiazole [INN:BAN]
RN: 533-45-9
UNII: 0C5DBZ19HV
InChIKey: PCLITLDOTJTVDJ-UHFFFAOYSA-N

Note

  • A sedative and anticonvulsant often used in the treatment of alcohol withdrawal. Chlormethiazole has also been proposed as a neuroprotective agent. The mechanism of its therapeutic activity is not entirely clear, but it does potentiate GAMMA-AMINOBUTYRIC ACID receptors response and it may also affect glycine receptors.

Molecular Formula

  • C6-H8-Cl-N-S

Molecular Weight

  • 161.6552
 

Classification Codes

  • Anticonvulsants
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • GABA Agents
  • GABA Modulators
  • Hypnotics and Sedatives
  • Neuroprotective Agents
  • Neurotransmitter Agents
  • Protective Agents
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Names and Synonyms

Name of Substance

  • Chlormethiazole
  • Clomethiazole [INN:BAN]

MeSH Heading

  • Chlormethiazole

Synonyms

  • 4-27-00-00990 (Beilstein Handbook Reference)
  • 4-Methyl-5-(beta-chloroethyl)thiazole
  • 5-(2-Chloroethyl)-4-methylthiazole
  • BRN 0114244
  • Chloraethiazol
  • Chlormethiazol
  • Chlormethiazole
  • Chloro-S.C.T.Z.
  • Clomethiazol
  • Clomethiazole
  • Clomethiazolum
  • Clomethiazolum [INN-Latin]
  • Clometiazol
  • Clometiazol [INN-Spanish]
  • Clometiazole
  • Clometiazolo
  • Clometiazolo [DCIT]
  • Distraneurin
  • EINECS 208-565-7
  • Emineurina
  • SCTZ [as edisylate]
  • Somnevrin
  • UNII-0C5DBZ19HV
  • WY 1485

Systematic Names

  • 5-(2-Chloroethyl)-4-methylthiazole
  • Clomethiazole
  • Thiazole, 5-(2-chloroethyl)-4-methyl-

Registry Numbers

CAS Registry Number

  • 533-45-9

FDA UNII

  • 0C5DBZ19HV

System Generated Number

  • 0000533459

Structure Descriptors

InChI

1S/C6H8ClNS/c1-5-6(2-3-7)9-4-8-5/h4H,2-3H2,1H3

InChIKey

PCLITLDOTJTVDJ-UHFFFAOYSA-N

Smiles

c1(c(ncs1)C)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   Acta Pharmaceutica Suecica. Vol. 8, Pg. 39, 1971.
mouse LD50 intravenous 94mg/kg (94mg/kg)   Acta Pharmaceutica Suecica. Vol. 7, Pg. 423, 1970.
mouse LD50 oral 2110mg/kg (2110mg/kg)   Journal of Medicinal Chemistry. Vol. 7, Pg. 167, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.12 (none)   EXP
Water Solubility 1040 mg/L 25 EST
Vapor Pressure 0.023 mm Hg 25 EST
Henry's Law Constant 2.18E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.00E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.