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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:bitolterol
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Accession:CHEBI:3133 term browser browse the term
Definition:The di-4-toluate ester of (+-)-N-tert-butylnoradrenaline (colterol). A pro-drug for colterol, a beta2-adrenergic receptor agonist, bitolterol is used as its methanesulfonate salt for relief of bronchospasm in conditions such as asthma, chronic bronchitis and emphysema.
Synonyms:exact_synonym: 4-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diyl bis(4-methylbenzoate)
 related_synonym: 4-[2-(tert-butylamino)-1-hydroxyethyl]-o-phenylene di-p-toluate;   Formula=C28H31NO5;   InChI=1S/C28H31NO5/c1-18-6-10-20(11-7-18)26(31)33-24-15-14-22(23(30)17-29-28(3,4)5)16-25(24)34-27(32)21-12-8-19(2)9-13-21/h6-16,23,29-30H,17H2,1-5H3;   InChIKey=FZGVEKPRDOIXJY-UHFFFAOYSA-N;   SMILES=Cc1ccc(cc1)C(=O)Oc1ccc(cc1OC(=O)c1ccc(C)cc1)C(O)CNC(C)(C)C;   bis(4-methylbenzoic acid) 4-[2-(tert-butylamino)-1-hydroxyethyl]-1,2-phenylene ester;   bitolterolum
 xref: Beilstein:2229527;   CAS:30392-40-6;   DrugBank:DB00901;   Drug_Central:384;   KEGG:C06853;   KEGG:D07534;   PMID:3278878;   PMID:473792;   Patent:DE2015573;   Patent:US4138581;   Reaxys:2229527;   Wikipedia:Bitolterol



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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20059
    role 20009
      application 19747
        anti-asthmatic agent 9254
          anti-asthmatic drug 8620
            bitolterol 0
              (R)-bitolterol 0
              (S)-bitolterol 0
              bitolterol mesylate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20059
    subatomic particle 20056
      composite particle 20056
        hadron 20056
          baryon 20056
            nucleon 20056
              atomic nucleus 20056
                atom 20056
                  main group element atom 19956
                    main group molecular entity 19956
                      s-block molecular entity 19744
                        hydrogen molecular entity 19736
                          hydrides 19102
                            inorganic hydride 17893
                              pnictogen hydride 17876
                                nitrogen hydride 17766
                                  azane 17518
                                    ammonia 17517
                                      organic amino compound 17517
                                        amino alcohol 1035
                                          ethanolamines 801
                                            bitolterol 0
                                              (R)-bitolterol 0
                                              (S)-bitolterol 0
                                              bitolterol mesylate + 0
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