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The Prescription of Drugs Ontology
Last uploaded:
September 4, 2020
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| Preferred Name | paraldehyde | |
| Synonyms |
acetaldehyde trimer paraacetaldehyde paracetaldehyde 2,4,6-trimethyl-s-trioxane 1,3,5-trimethyl-2,4,6-trioxane Paral Paraldehyd 2,4,6-trimethyl-1,3,5-trioxane Paraldehyde |
|
| 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 |
|
| alternative term |
acetaldehyde trimer paraacetaldehyde paracetaldehyde 2,4,6-trimethyl-s-trioxane 1,3,5-trimethyl-2,4,6-trioxane Paral Paraldehyd 2,4,6-trimethyl-1,3,5-trioxane Paraldehyde
|
|
| bearer_of | ||
| 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
|
|
| formula |
C6H12O3
|
|
| has role | ||
| 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
|
|
| has_RxCUI |
7909
|
|
| 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 Paraldehyde
|
|
| mass |
132.15768
|
|
| monoisotopicmass |
132.07864
|
|
| notation |
CHEBI:27909
|
|
| prefixIRI |
CHEBI:27909
|
|
| prefLabel |
paraldehyde
|
|
| smiles |
CC1OC(C)OC(C)O1
|
|
| textual definition |
A trioxane that is 1,3,5-trioxane substituted by methyl groups at positions 2, 4 and 6.
|
|
| subClassOf |
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