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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:aclidinium
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Accession:CHEBI:65346 term browser browse the term
Definition:A carboxylic ester obtained by formal condensation between the carboxy group of 2-hydroxy(di-2-thienyl)acetic acid and the hydroxy group of N-(3-phenoxypropyl)-3-quinuclidinol. Used as its bromide salt for the long-term maintenance treatment of bronchospasm associated with chronic obstructive pulmonary disease (COPD).
Synonyms:exact_synonym: (3R)-3-[2-hydroxy(di-2-thienyl)acetoxy]-1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octane
 related_synonym: Formula=C26H30NO4S2;   InChI=1S/C26H30NO4S2/c28-25(26(29,23-9-4-17-32-23)24-10-5-18-33-24)31-22-19-27(14-11-20(22)12-15-27)13-6-16-30-21-7-2-1-3-8-21/h1-5,7-10,17-18,20,22,29H,6,11-16,19H2/q+1/t20?,22-,27?/m0/s1;   InChIKey=ASMXXROZKSBQIH-VITNCHFBSA-N;   SMILES=OC(C(=O)O[C@H]1C[N+]2(CCCOc3ccccc3)CCC1CC2)(c1cccs1)c1cccs1
 xref: Drug_Central:4484;   PMID:20525722;   PMID:21628603


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19781
    role 19726
      application 19412
        pharmaceutical 19312
          drug 19312
            bronchodilator agent 3732
              aclidinium 0
                aclidinium bromide 0
Path 2
Term Annotations click to browse term
  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
                                  azane 17010
                                    ammonia 17009
                                      organic amino compound 17008
                                        tertiary amino compound 8673
                                          tertiary amine 618
                                            3-quinuclidinol 1
                                              aclidinium 0
                                                aclidinium bromide 0
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