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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:bepotastine
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Accession:CHEBI:71204 term browser browse the term
Definition:An ether that is (S)-(4-chlorophenyl)(pyridin-2-yl)methanol in which the hydroxyl hydrogen is substituted by a 1-(3-carboxypropyl)piperidin-4-yl group. A topical, selective and non-sedating histamine (H1) receptor antagonist used (as its benzenesulfonate salt) for treatment of itching associated with allergic conjunctivitis.
Synonyms:related_synonym: (+)-4-(((S)-p-Chloro-alpha-2-pyridylbenzyl)oxy)-1-piperidinebutyric acid;   4-((4-Chlorophenyl)-2-pyridinylmethoxy)-1-piperidinebutanoic acid;   Formula=C21H25ClN2O3;   InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m0/s1;   InChIKey=YWGDOWXRIALTES-NRFANRHFSA-N;   SMILES=OC(=O)CCCN1CCC(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccn1;   bepotastina;   bepotastinum;   betotastine
 xref: CAS:125602-71-3;   DrugBank:DB04890;   Drug_Central:341;   KEGG:D09705;   PMID:20687621;   PMID:21105284;   PMID:22286689;   PMID:23152650;   Patent:EP1336602;   Patent:US2010168433;   Patent:WO2008123701;   Patent:WO2008153289;   Reaxys:7910270;   Wikipedia:Bepotastine
 cyclic_relationship: is_conjugate_base_of CHEBI:71202


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  CHEBI ontology 22178
    role 22194
      application 21744
        pharmaceutical 21187
          drug 21159
            anti-allergic agent 3931
              bepotastine 0
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Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            organic molecule 21647
                              organic cyclic compound 21252
                                carbocyclic compound 19682
                                  benzenoid aromatic compound 18819
                                    benzenes 18620
                                      chlorobenzenes 15422
                                        monochlorobenzenes 12065
                                          bepotastine 0
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