Chloral hydrate (BioCAD00000008301)

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Metabolite Card

Formula: C2H3Cl3O2 (163.9199)
SMILES: OC(O)C(Cl)(Cl)Cl

Synonyms [en]

chloral hydrate; Knockout drops; 2,2,2-Trichloroethane-1,1-diol; Somnote; Aquachloral Supprettes; Noctec

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Chloral hydrate. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000008301). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Chloral hydrate is a sedative and hypnotic drug as well as a chemical reagent and precursor. The name chloral hydrate indicates that it is formed from chloral (trichloroacetaldehyde) by the addition of one molecule of water. Its chemical formula is C2H3Cl3O2. It was discovered through the chlorination of ethanol in 1832 by Justus von Liebig in Gießen. Its sedative properties were first published in 1869 and subsequently, because of its easy synthesis, its use was widespread. (Wikipedia)

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 302-17-0
  • PubChem: 2707
  • ChEBI: ChEBI:28142
  • HMDB: HMDB0060451
  • KEGG: C06899
  • BioCyc: CPD0-1476
  • NCBI MeSH: Chloral Hydrate
  • Wikipedia: Chloral hydrate
  • Wikipedia: Chloral_hydrate
  • DrugBank: DB01563
  • RefMet: RM0118218
  • Metlin: METLIN_1642
  • Coconut NaturalProduct: CNP0415716.0

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R07101 C14866 + C00001<=>C06899
KEGG:R07104 1.2.1.5 chloral:NAD(P)+ oxidoreductase
KEGG:R07105 1.1.1.1 trichloroethanol:NAD+ oxidoreductase
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Organism Source

Taxonomy Source

  1. Mus musculus [ncbi taxid: 10090]

Pathway Synthetic

pathway id name
BioCyc:META_PWY-7180 2'-deoxy-α-D-ribose 1-phosphate degradation
BioCyc:ECO_PWY0-1298 superpathway of pyrimidine deoxyribonucleosides degradation
BioCyc:META_PWY0-1298 superpathway of pyrimidine deoxyribonucleosides degradation
BioCyc:META_PWY0-1297 superpathway of purine deoxyribonucleosides degradation
BioCyc:ECO_PWY-7180 2'-deoxy-α-D-ribose 1-phosphate degradation
BioCyc:ECO_PWY0-1297 superpathway of purine deoxyribonucleosides degradation
View All Pathways