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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:tiotropium
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Accession:CHEBI:90960 term browser browse the term
Definition:A quaternary ammonium ion obtained by methylation of the tertiary amino group of (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane. Used (in the form of the bromide hydrate) for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.
Synonyms:related_synonym: (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane;   7-((hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane;   BA-679 BR;   Formula=C19H22NO4S2;   InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1/t11-,12-,13+,16-,17+;   InChIKey=LERNTVKEWCAPOY-DZZGSBJMSA-N;   SMILES=O([C@H]1C[C@]2([C@@H]3O[C@@H]3[C@](C1)([H])[N+]2(C)C)[H])C(C(C4=CC=CS4)(C=5SC=CC5)O)=O
 xref: CAS:186691-13-4;   PMID:16357953;   PMID:19281093;   PMID:20508873;   PMID:20856827;   PMID:26604737;   Reaxys:9806715


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  CHEBI ontology 21720
    role 21698
      application 21210
        pharmaceutical 20719
          drug 20719
            bronchodilator agent 3724
              tiotropium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21720
    subatomic particle 21706
      composite particle 21706
        hadron 21706
          baryon 21706
            nucleon 21706
              atomic nucleus 21706
                atom 21706
                  main group element atom 21621
                    main group molecular entity 21621
                      s-block molecular entity 21158
                        hydrogen molecular entity 21094
                          hydrides 20358
                            inorganic hydride 18054
                              pnictogen hydride 18016
                                nitrogen hydride 17835
                                  ammonium 8093
                                    ammonium ion derivative 8089
                                      quaternary ammonium ion 5241
                                        tiotropium 0
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