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CHEBI:28142 - chloral hydrate
| Formula | C2H3Cl3O2 |
| Net Charge | 0 |
| Average Mass | 165.403 |
| Monoisotopic Mass | 163.91986 |
| SMILES | OC(O)C(Cl)(Cl)Cl |
| InChI | InChI=1S/C2H3Cl3O2/c3-2(4,5)1(6)7/h1,6-7H |
| InChIKey | RNFNDJAIBTYOQL-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | 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. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| Applications: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| 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 |
| Chloralhydrat | ChEBI |
| Chloral hydrate | KEGG COMPOUND |
| chloral monohydrate | ChemIDplus |
| Brand Names | Source |
|---|---|
| Aquachloral Supprettes | DrugBank |
| Noctec | ChEBI |
| Somnote | DrugBank |