CHEBI:28142 - chloral hydrate

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ChEBI Name chloral hydrate
ChEBI ID CHEBI:28142
Definition An organochlorine compound that is the hydrate of trichloroacetaldehyde.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3600, CHEBI:23105
Supplier Information
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Formula C2H3Cl3O2
Net Charge 0
Average Mass 165.40300
Monoisotopic Mass 163.920
InChI InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H
InChIKey RNFNDJAIBTYOQL-UHFFFAOYSA-N
SMILES OC(O)C(Cl)(Cl)Cl
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): sedative
A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
general anaesthetic
Substance that produces loss of consciousness.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chloral hydrate (CHEBI:28142) has role general anaesthetic (CHEBI:38869)
chloral hydrate (CHEBI:28142) has role mouse metabolite (CHEBI:75771)
chloral hydrate (CHEBI:28142) has role sedative (CHEBI:35717)
chloral hydrate (CHEBI:28142) has role xenobiotic (CHEBI:35703)
chloral hydrate (CHEBI:28142) is a aldehyde hydrate (CHEBI:63733)
chloral hydrate (CHEBI:28142) is a ethanediol (CHEBI:23976)
chloral hydrate (CHEBI:28142) is a organochlorine compound (CHEBI:36683)
IUPAC Name
2,2,2-trichloroethane-1,1-diol
Synonyms Sources
1,1,1-trichloro-2,2-dihydroxyethane NIST Chemistry WebBook
1,1,1-trichloro-2,2-ethanediol NIST Chemistry WebBook
2,2,2-trichloro-1,1-ethanediol NIST Chemistry WebBook
Chloral hydrate KEGG COMPOUND
chloral monohydrate ChemIDplus
Chloralhydrat ChEBI
knockout drops ChemIDplus
Noctec ChemIDplus
Trichloracetaldehyd-hydrat ChemIDplus
trichloroacetaldehyde hydrate ChemIDplus
Brand Names Sources
Aquachloral Supprettes DrugBank
Noctec ChEBI
Somnote DrugBank
Database Links Databases
c0011 UM-BBD
C06899 KEGG COMPOUND
CPD0-1476 MetaCyc
D00265 KEGG DRUG
DB01563 DrugBank
View more database links
Registry Numbers Types Sources
101369 Gmelin Registry Number Gmelin
1698497 Beilstein Registry Number ChemIDplus
302-17-0 CAS Registry Number KEGG COMPOUND
302-17-0 CAS Registry Number NIST Chemistry WebBook
302-17-0 CAS Registry Number ChemIDplus
Last Modified
27 January 2016
General Comments
2011-02-09 A hypnotic and sedative, chloral hydrate is used in the short-term management of insomnia, and has been used for sedation and as a sedative for premedication. The sedative effects are markedly enhanced by other CNS depressants such as alcohol (the "Mickey Finn"), barbiturates, and other sedatives. Chloral hydrate is commonly used as a general anaesthetic in animal experiments, but the safety margin is too narrow for it to be used for that purpose in humans.
2011-02-04 The pesticide DDT is manufactured by condensation of chloral hydrate with chlorobenzene in concentrated sulfuric acid. It is estimated that a total of 1.8 million tonnes of DDT have been produced globally since the 1940s.