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CHEBI:27909 - paraldehyde

ChEBI IDCHEBI:27909
ChEBI Nameparaldehyde
Stars
DefinitionA trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6.
Secondary ChEBI IDsCHEBI:7920, CHEBI:25854
Last Modified22 February 2017
DownloadsMolfile
FormulaC6H12O3
Net Charge0
Average Mass132.159
Monoisotopic Mass132.07864
SMILESCC1OC(C)OC(C)O1
InChIInChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKeySQYNKIJPMDEDEG-UHFFFAOYSA-N
Wikipedia
Roles Classification
Application:
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
ChEBI Ontology
Outgoing Relation(s)
paraldehyde (CHEBI:27909) has role sedative (CHEBI:35717)
paraldehyde (CHEBI:27909) is a trioxane (CHEBI:38044)
IUPAC Name 
2,4,6-trimethyl-1,3,5-trioxane
Synonyms  Source
ParaldehydeKEGG COMPOUND
paracetaldehydeNIST Chemistry WebBook
ParalNIST Chemistry WebBook
1,3,5-trimethyl-2,4,6-trioxaneChemIDplus
2,4,6-trimethyl-s-trioxaneChemIDplus
ParaldehydChemIDplus
Manual XrefsDatabases
C07834KEGG COMPOUND
C07834KEGG COMPOUND
HMDB0032456HMDB
ParaldehydeWikipedia
D00705KEGG DRUG
2058DrugCentral
Registry NumbersSources
Gmelin:26743Gmelin
Reaxys:80142Reaxys
CAS:123-63-7KEGG COMPOUND
CAS:123-63-7ChemIDplus
CAS:123-63-7NIST Chemistry WebBook
Citations