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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | diphenhydramine hydrochloride | |
| Synonyms |
alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride 2-(benzhydryloxy)-N,N-dimethylethylamine hydrochloride beta-dimethylaminoethyl benzhydryl ether hydrochloride diphenhydramine HCl 2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride 2-(diphenylmethoxy)-N,N-dimethylethanaminium chloride |
|
| Definitions |
The hydrochloride salt of diphenhydramine. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_4637 |
|
| charge |
0
|
|
| database_cross_reference |
DrugBank:DB01075 Beilstein:3918132 CAS:147-24-0 Wikipedia:Diphenhydramine_Hydrochloride KEGG:D00669
|
|
| definition |
The hydrochloride salt of diphenhydramine.
|
|
| formula |
C17H22ClNO
|
|
| has part | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_37955 http://purl.obolibrary.org/obo/CHEBI_48876 http://purl.obolibrary.org/obo/CHEBI_36333 http://purl.obolibrary.org/obo/CHEBI_50919 http://purl.obolibrary.org/obo/CHEBI_35717 http://purl.obolibrary.org/obo/CHEBI_59683 |
|
| has_exact_synonym |
2-(diphenylmethoxy)-N,N-dimethylethanaminium chloride
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride 2-(benzhydryloxy)-N,N-dimethylethylamine hydrochloride beta-dimethylaminoethyl benzhydryl ether hydrochloride diphenhydramine HCl 2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride
|
|
| id |
CHEBI:4637
|
|
| in_subset | ||
| inchi |
InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
|
|
| inchikey |
PCHPORCSPXIHLZ-UHFFFAOYSA-N
|
|
| label |
diphenhydramine hydrochloride
|
|
| mass |
291.81600
|
|
| monoisotopicmass |
291.13899
|
|
| notation |
CHEBI:4637
|
|
| prefLabel |
diphenhydramine hydrochloride
|
|
| smiles |
[Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1
|
|
| treeView | ||
| subClassOf |
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