loading...| Preferred Name |
paraldehyde |
|
| Synonyms |
Paraldehyde 2,4,6-trimethyl-1,3,5-trioxane paraacetaldehyde acetaldehyde trimer Paral 1,3,5-trimethyl-2,4,6-trioxane paracetaldehyde Paraldehyd 2,4,6-trimethyl-s-trioxane |
|
| 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 |
PMID:23118657 HMDB:HMDB0032456 Reaxys:80142 PMID:17364860 Drug_Central:2058 CAS:123-63-7 PMID:13340987 Wikipedia:Paraldehyde Gmelin:26743 KEGG:C07834 Beilstein:80142 PMID:13226912 PMID:13265663 KEGG:D00705 |
|
| definition |
A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6. |
|
| formula |
C6H12O3 |
|
| has role | ||
| has_alternative_id |
CHEBI:25854 CHEBI:7920 |
|
| has_exact_synonym |
Paraldehyde 2,4,6-trimethyl-1,3,5-trioxane |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
paraacetaldehyde acetaldehyde trimer Paral 1,3,5-trimethyl-2,4,6-trioxane paracetaldehyde Paraldehyd 2,4,6-trimethyl-s-trioxane |
|
| 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 |
|
| smiles |
CC1OC(C)OC(C)O1 |
|
| treeView | ||
| subClassOf |