CHEBI:34720 - diphenhydramine salicylate

ChEBI IDCHEBI:34720
ChEBI Namediphenhydramine salicylate
Stars
DefinitionThe salicylic acid salt of diphenhydramine.
Last Modified2 June 2014
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FormulaC17H22NO.C7H5O3
Net Charge0
Average Mass393.483
Monoisotopic Mass393.19401
SMILESC[NH+](C)CCOC(c1ccccc1)c1ccccc1.O=C([O-])c1ccccc1O
InChIInChI=1S/C17H21NO.C7H6O3/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-6-4-2-1-3-5(6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4,8H,(H,9,10)
InChIKeyRTSZUSOHOIFYSY-UHFFFAOYSA-N
Roles Classification
Biological Roles:
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
Applications:
antiemetic  A drug used to prevent nausea or vomiting. An antiemetic may act by a wide range of mechanisms: it might affect the medullary control centres (the vomiting centre and the chemoreceptive trigger zone) or affect the peripheral receptors.
muscarinic antagonist  A drug that binds to but does not activate muscarinic cholinergic receptors, thereby blocking the actions of endogenous acetylcholine or exogenous agonists.
H1-receptor antagonist  H1-receptor antagonists are the drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine.
anti-allergic agent  A drug used to treat allergic reactions.
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
ChEBI Ontology
Outgoing Relation(s)
diphenhydramine salicylate (CHEBI:34720) has part diphenhydramine (CHEBI:4636)
diphenhydramine salicylate (CHEBI:34720) has part salicylate (CHEBI:30762)
diphenhydramine salicylate (CHEBI:34720) has role anti-allergic agent (CHEBI:50857)
diphenhydramine salicylate (CHEBI:34720) has role antiemetic (CHEBI:50919)
diphenhydramine salicylate (CHEBI:34720) has role H1-receptor antagonist (CHEBI:37955)
diphenhydramine salicylate (CHEBI:34720) has role muscarinic antagonist (CHEBI:48876)
diphenhydramine salicylate (CHEBI:34720) has role sedative (CHEBI:35717)
diphenhydramine salicylate (CHEBI:34720) is a organoammonium salt (CHEBI:46850)
diphenhydramine salicylate (CHEBI:34720) is a salicylates (CHEBI:26596)
IUPAC Name 
2-(diphenylmethoxy)-N,N-dimethylethanaminium 2-hydroxybenzoate
Synonym  Source
Diphenhydramine salicylateKEGG COMPOUND
Manual XrefsDatabases
C14015KEGG COMPOUND
D02419KEGG DRUG
DB01075DrugBank
Registry NumbersSources
CAS:7491-10-3KEGG COMPOUND
CAS:7491-10-3ChemIDplus