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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:eletriptan hydrobromide
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Accession:CHEBI:61176 term browser browse the term
Definition:A hydrobromide that has formula C22H27BrN2O2S.
Synonyms:exact_synonym: 5-[2-(phenylsulfonyl)ethyl]-3-[(2R)-pyrrolidin-2-ylmethyl]-1H-indole hydrobromide
 related_synonym: (R)-3-((1-methyl-2-pyrrolidinyl)methyl)-5-(2-(phenylsulfonyl)ethyl)-1H-indole monohydrobromide;   Formula=C22H27BrN2O2S;   InChI=1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1;   InChIKey=UTINOWOSWSPFLJ-FSRHSHDFSA-N;   RELPAX;   SMILES=Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12;   eletriptan monohydrobromide
 xref: CAS:177834-92-3;   DrugBank:DB00216;   KEGG:D01973;   Reaxys:8459649


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  CHEBI ontology 19781
    role 19726
      application 19412
        anti-inflammatory agent 15759
          anti-inflammatory drug 13624
            non-steroidal anti-inflammatory drug 12714
              eletriptan hydrobromide 0
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  CHEBI ontology 19781
    subatomic particle 19779
      composite particle 19779
        hadron 19779
          baryon 19779
            nucleon 19779
              atomic nucleus 19779
                atom 19779
                  main group element atom 19669
                    main group molecular entity 19669
                      s-block molecular entity 19434
                        hydrogen molecular entity 19429
                          hydrides 18757
                            inorganic hydride 17455
                              pnictogen hydride 17431
                                nitrogen hydride 17278
                                  ammonium 8223
                                    ammonium ion derivative 8219
                                      eletriptan(1+) 0
                                        eletriptan hydrobromide 0
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