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ONTOLOGY REPORT - ANNOTATIONS


Term:scopolamine hydrobromide trihydrate
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Accession:CHEBI:61272 term browser browse the term
Definition:A hydrate that is the trihydrate form of scopolamine hydrobromide.
Synonyms:exact_synonym: (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl (2S)-3-hydroxy-2-phenylpropanoate hydrobromide--water (1/3);   (1R,2R,4S,5S,7s,9s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane bromide--water (1/3)
 related_synonym: Formula=C17H28BrNO7;   Hysco;   InChI=1S/C17H21NO4.BrH.3H2O/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10;;;;/h2-6,11-16,19H,7-9H2,1H3;1H;3*1H2/t11-,12-,13-,14+,15-,16+;;;;/m1..../s1;   InChIKey=LACQPOBCQQPVIT-SEYKEWMNSA-N;   Isopto hyoscine;   SMILES=O.O.O.Br.CN1[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1;   hyoscine hydrobromide trihydrate;   scopolamine hydrobromide;   scopolaminium bromide trihydrate;   scopolammonium bromide trihydrate
 xref: CAS:6533-68-2 "ChemIDplus";   CAS:6533-68-2 "KEGG DRUG";   DrugBank:DB00747;   KEGG:D02071


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  CHEBI ontology 19679
    role 19623
      chemical role 19139
        greenhouse gas 9812
          water 607
            hydrate 588
              scopolamine hydrobromide trihydrate 0
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  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    main group molecular entity 19555
                      s-block molecular entity 19336
                        hydrogen molecular entity 19325
                          hydrides 18249
                            inorganic hydride 17113
                              pnictogen hydride 17071
                                nitrogen hydride 16891
                                  ammonium 8211
                                    ammonium ion derivative 8206
                                      scopolamine(1+) 0
                                        scopolamine hydrobromide (anhydrous) 0
                                          scopolamine hydrobromide trihydrate 0
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