Preferred Name |
paraldehyde |
|
Synonyms |
2,4,6-trimethyl-1,3,5-trioxane Paraldehyde acetaldehyde trimer paraacetaldehyde paracetaldehyde 2,4,6-trimethyl-s-trioxane 1,3,5-trimethyl-2,4,6-trioxane Paral Paraldehyd |
|
Definitions |
A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_27909 |
|
charge |
0 |
|
database_cross_reference |
Wikipedia:Paraldehyde HMDB:HMDB0032456 Gmelin:26743 PMID:13226912 PMID:17364860 PMID:13265663 KEGG:D00705 KEGG:C07834 Drug_Central:2058 CAS:123-63-7 Beilstein:80142 PMID:23118657 Reaxys:80142 PMID:13340987 |
|
definition |
A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. |
|
formula |
C6H12O3 |
|
has_alternative_id |
CHEBI:25854 CHEBI:7920 |
|
has_exact_synonym |
2,4,6-trimethyl-1,3,5-trioxane Paraldehyde |
|
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
acetaldehyde trimer paraacetaldehyde paracetaldehyde 2,4,6-trimethyl-s-trioxane 1,3,5-trimethyl-2,4,6-trioxane Paral Paraldehyd |
|
id |
CHEBI:27909 |
|
in_subset | ||
inchi |
InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3 |
|
inchikey |
SQYNKIJPMDEDEG-UHFFFAOYSA-N |
|
label |
paraldehyde |
|
mass |
132.15768 |
|
monoisotopicmass |
132.07864 |
|
notation |
CHEBI:27909 |
|
prefLabel |
paraldehyde |
|
RO_0000087 | ||
smiles |
CC1OC(C)OC(C)O1 |
|
subClassOf |