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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 bromide
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Accession:CHEBI:90959 term browser browse the term
Definition:An organic bromide salt having (1alpha,2beta,4beta,5alpha,7beta)-7-[(hydroxydi-2-thienylacetyl)oxy]-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane as the counterion. Used (in the form of the 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 bromide;   7-((Hydroxybis(2-thienyl)acetyl)oxy)-9,9-dimethyl-3-oxa-9-azoniatricyclo(3.3.1.0(2,4))nonane bromide;   BA 679 BR;   BA 679BR;   Formula=C19H22BrNO4S2;   InChI=1S/C19H22NO4S2.BrH/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;1H/q+1;/p-1/t11-,12-,13+,16-,17+;;   InChIKey=DQHNAVOVODVIMG-FOGIBKMMSA-M;   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.[Br-]
 xref: CAS:136310-93-5
 xref_mesh: MESH:D000069447
 xref: PMID:16357953;   PMID:19281093;   PMID:20508873;   PMID:20856827;   PMID:26604737;   PMID:26692823;   PMID:26756006;   Reaxys:11069044;   Wikipedia:Tiotropium_bromide


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tiotropium bromide term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Chrm1 cholinergic receptor, muscarinic 1 affects binding ISO Tiotropium Bromide binds to CHRM1 protein CTD PMID:21870878 NCBI chr 1:205,567,046...205,583,001 JBrowse link
G Chrm2 cholinergic receptor, muscarinic 2 affects binding ISO Tiotropium Bromide binds to CHRM2 protein CTD PMID:21870878 NCBI chr 4:65,015,408...65,149,104 JBrowse link
G Chrm3 cholinergic receptor, muscarinic 3 affects binding ISO Tiotropium Bromide binds to CHRM3 protein CTD PMID:21870878 NCBI chr17:60,005,137...60,467,250 JBrowse link
G Chrm4 cholinergic receptor, muscarinic 4 affects binding ISO Tiotropium Bromide binds to CHRM4 protein CTD PMID:21870878 NCBI chr 3:77,893,425...77,901,166 JBrowse link
G Chrm5 cholinergic receptor, muscarinic 5 affects binding ISO Tiotropium Bromide binds to CHRM5 protein CTD PMID:21870878 NCBI chr 3:99,284,846...99,337,252 JBrowse link
G Edn1 endothelin 1 multiple interactions ISO Tiotropium Bromide inhibits the reaction [Oxotremorine results in increased expression of EDN1 mRNA] CTD PMID:22796455 NCBI chr17:22,454,924...22,460,812 JBrowse link
G Pon1 paraoxonase 1 decreases activity ISO Tiotropium Bromide results in decreased activity of PON1 protein CTD PMID:31581362 NCBI chr 4:33,294,737...33,325,759 JBrowse link
G Tnf tumor necrosis factor decreases secretion ISO Tiotropium Bromide results in decreased secretion of TNF protein CTD PMID:21352583 NCBI chr20:3,622,011...3,624,629 JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19762
    role 19708
      application 19396
        pharmaceutical 19294
          drug 19294
            bronchodilator agent 3724
              tiotropium bromide 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    main group molecular entity 19651
                      s-block molecular entity 19418
                        hydrogen molecular entity 19413
                          hydrides 18746
                            inorganic hydride 17471
                              pnictogen hydride 17448
                                nitrogen hydride 17302
                                  ammonium 8214
                                    ammonium ion derivative 8210
                                      ammonium compound 5073
                                        organoammonium salt 423
                                          quaternary ammonium salt 307
                                            tiotropium bromide 8
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