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ONTOLOGY REPORT - ANNOTATIONS


Term:butylscopolamine
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Accession:CHEBI:145701 term browser browse the term
Definition:A carboxylic ester resulting from the formal condensation of the carboxy group of (2S)-3-hydroxy-2-phenylpropanoic acid with the hydroxy group of (2R,4S,5S,7s)-9-butyl-7-hydroxy-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane.
Synonyms:exact_synonym: (2R,4S,5S,7s)-9-butyl-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
 related_synonym: Formula=C21H30NO4;   InChI=1S/C21H30NO4/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14/h5-9,15-20,23H,3-4,10-13H2,1-2H3/q+1/t15-,16-,17-,18+,19-,20+,22?/m1/s1;   InChIKey=YBCNXCRZPWQOBR-WVHCHWADSA-N;   N-butylscopolamine;   N-butylscopolammonium;   N-butylscopolammonium cation;   N-butylscopolammonium ion;   SMILES=[C@@H]12[C@@H](O1)[C@H]3[N+](C)([C@@H]2C[C@H](C3)OC(=O)[C@@H](C4=CC=CC=C4)CO)CCCC;   butilescopolamina;   butylscopolammonium
 xref: CAS:7182-53-8;   DrugBank:DB09300;   Drug_Central:458;   PMID:11189901;   PMID:15586641;   PMID:17039447;   PMID:18049092;   PMID:19468628;   PMID:22467253;   PMID:22925156;   PMID:23869107;   PMID:27033592;   PMID:27557455;   PMID:30076627


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butylscopolamine bromide term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Slc22a2 solute carrier family 22 member 2 JBrowse link 1 48,318,025 48,360,219 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19789
    chemical entity 19788
      molecular entity 19786
        main group molecular entity 19672
          gas molecular entity 17407
            oxirane 5559
              epoxide 5557
                butylscopolamine 1
                  butylscopolamine bromide 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic molecule 19480
                              organic cyclic compound 19239
                                organic heterocyclic compound 18352
                                  organic heteromonocyclic compound 16413
                                    saturated organic heteromonocyclic parent 5596
                                      oxirane 5559
                                        epoxide 5557
                                          butylscopolamine 1
                                            butylscopolamine bromide 1
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