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ONTOLOGY REPORT - ANNOTATIONS


Term:trospium
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Accession:CHEBI:145791 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 (1S,3R,5R)-3-hydroxy-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium. Its chloride salt is used to treat overactive bladder.
Synonyms:exact_synonym: (1S,3R,5R)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-8lambda(5)-azaspiro[bicyclo[3.2.1]octane-8,1'-pyrrolidin]-8-ylium
 related_synonym: (1alpha,3beta,5alpha)-3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-pyrrolidinium];   Formula=C25H30NO3;   InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23+;   InChIKey=OYYDSUSKLWTMMQ-JKHIJQBDSA-N;   SMILES=[N+]12([C@]3(C[C@H](OC(C(C4=CC=CC=C4)(C5=CC=CC=C5)O)=O)C[C@@]1(CC3)[H])[H])CCCC2;   tropsium cation;   tropsium ion
 xref: CAS:47608-32-2;   DrugBank:DB00209;   Drug_Central:2776;   HMDB:HMDB0014354;   PMID:21212936;   PMID:26186951;   PMID:28247723;   PMID:30656943;   PMID:30697533;   PMID:31602966


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Term Annotations click to browse term
  CHEBI ontology 227
    chemical entity 227
      molecular entity 227
        ion 23
          organic ion 13
            organic cation 7
              quaternary ammonium ion 5
                trospium 0
                  trospium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 227
    subatomic particle 227
      composite particle 227
        hadron 227
          baryon 227
            nucleon 227
              atomic nucleus 227
                atom 227
                  main group element atom 220
                    p-block element atom 220
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            organic group 154
                              organic divalent group 153
                                organodiyl group 153
                                  carbonyl group 153
                                    carbonyl compound 153
                                      carboxylic ester 92
                                        trospium 0
                                          trospium chloride 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.