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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:diphenhydramine hydrochloride
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Accession:CHEBI:4637 term browser browse the term
Definition:The hydrochloride salt of diphenhydramine.
Synonyms:exact_synonym: 2-(diphenylmethoxy)-N,N-dimethylethanaminium chloride
 related_synonym: 2-(benzhydryloxy)-N,N-dimethylethylamine hydrochloride;   2-(diphenylmethoxy)-N,N-dimethylethanamine hydrochloride;   Formula=C17H22ClNO;   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;   SMILES=[Cl-].C[NH+](C)CCOC(c1ccccc1)c1ccccc1;   alpha-hydroxydiphenylmethane-beta-dimethylaminoethyl ether hydrochloride;   beta-dimethylaminoethyl benzhydryl ether hydrochloride;   diphenhydramine HCl
 xref: Beilstein:3918132;   CAS:147-24-0;   DrugBank:DB01075;   KEGG:D00669;   Wikipedia:Diphenhydramine_Hydrochloride



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  CHEBI ontology 19810
    role 19759
      application 19468
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          drug 19316
            anti-allergic agent 3825
              diphenhydramine hydrochloride 0
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              atomic nucleus 19809
                atom 19809
                  main group element atom 19706
                    main group molecular entity 19706
                      s-block molecular entity 19490
                        hydrogen molecular entity 19485
                          hydrides 18845
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17280
                                    ammonia 17279
                                      organic amino compound 17279
                                        tertiary amino compound 8678
                                          diphenhydramine 21
                                            diphenhydramine hydrochloride 0
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