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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      application 19630
        pharmaceutical 19503
          drug 19471
            anti-allergic agent 3937
              bepotastine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                carbocyclic compound 18563
                                  benzenoid aromatic compound 17970
                                    benzenes 17830
                                      chlorobenzenes 14814
                                        monochlorobenzenes 11620
                                          bepotastine 0
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