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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:flutropium
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Accession:CHEBI:146214 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of hydroxy(diphenyl)acetic acid with the hydroxy group of (3-endo,8-syn)-8-(2-fluoroethyl)-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane. Its bromide salt is used as a drug for the treatment asthma and chronic obstructive pulmonary disease.
Synonyms:exact_synonym: (3-endo,8-syn)-8-(2-fluoroethyl)-3-{[hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane
 related_synonym: Formula=C24H29FNO3;   InChI=1S/C24H29FNO3/c1-26(15-14-25)20-12-13-21(26)17-22(16-20)29-23(27)24(28,18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,20-22,28H,12-17H2,1H3/q+1/t20-,21+,22+,26+;   InChIKey=OATDVDIMNNZTEY-DAXLTYESSA-N;   SMILES=[N@+]1([C@]2(C[C@H](OC(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)=O)C[C@@]1(CC2)[H])[H])(CCF)C;   flutropium cation;   flutropium ion
 xref: CAS:754131-59-4;   Drug_Central:1228;   PMID:1677436;   PMID:1968028;   PMID:2431695;   PMID:2453423;   PMID:2567689;   PMID:3778552;   PMID:3778553;   PMID:9493450



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Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    role 20001
      application 19737
        anti-asthmatic agent 9247
          anti-asthmatic drug 8616
            flutropium 0
              flutropium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic group 18937
                              organic divalent group 18922
                                organodiyl group 18922
                                  carbonyl group 18872
                                    carbonyl compound 18872
                                      carboxylic ester 15948
                                        flutropium 0
                                          flutropium bromide 0
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