CHEBI:27909 - paraldehyde

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ChEBI Name paraldehyde
ChEBI ID CHEBI:27909
Definition A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:7920, CHEBI:25854
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Formula C6H12O3
Net Charge 0
Average Mass 132.15768
Monoisotopic Mass 132.079
InChI InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3
InChIKey SQYNKIJPMDEDEG-UHFFFAOYSA-N
SMILES CC1OC(C)OC(C)O1
Roles Classification
Application(s): sedative
A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
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ChEBI Ontology
Outgoing 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 Sources
1,3,5-trimethyl-2,4,6-trioxane ChemIDplus
2,4,6-trimethyl-s-trioxane ChemIDplus
acetaldehyde trimer NIST Chemistry WebBook
paraacetaldehyde NIST Chemistry WebBook
paracetaldehyde NIST Chemistry WebBook
Paral NIST Chemistry WebBook
Paraldehyd ChemIDplus
Paraldehyde KEGG COMPOUND
Manual Xrefs Databases
2058 DrugCentral
C07834 KEGG COMPOUND
D00705 KEGG DRUG
HMDB0032456 HMDB
Paraldehyde Wikipedia
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Registry Numbers Types Sources
123-63-7 CAS Registry Number KEGG COMPOUND
123-63-7 CAS Registry Number ChemIDplus
123-63-7 CAS Registry Number NIST Chemistry WebBook
26743 Gmelin Registry Number Gmelin
80142 Beilstein Registry Number Beilstein
80142 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
13226912 PubMed citation Europe PMC
13265663 PubMed citation Europe PMC
13340987 PubMed citation Europe PMC
17364860 PubMed citation Europe PMC
23118657 PubMed citation Europe PMC
Last Modified
22 February 2017