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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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Term Annotations click to browse term
  CHEBI ontology 19841
    role 19817
      application 19661
        anti-inflammatory agent 16598
          anti-inflammatory drug 14940
            non-steroidal anti-inflammatory drug 14255
              eletriptan hydrobromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19841
    subatomic particle 19839
      composite particle 19839
        hadron 19839
          baryon 19839
            nucleon 19839
              atomic nucleus 19839
                atom 19839
                  main group element atom 19789
                    main group molecular entity 19789
                      s-block molecular entity 19626
                        hydrogen molecular entity 19613
                          hydrides 19120
                            inorganic hydride 18118
                              pnictogen hydride 18107
                                nitrogen hydride 18014
                                  ammonium 8305
                                    ammonium ion derivative 8300
                                      eletriptan(1+) 0
                                        eletriptan hydrobromide 0
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