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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:scopolamine methobromide
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Accession:CHEBI:61276 term browser browse the term
Definition:A quaternary ammonium salt resulting from the reaction of the amino group of scopolamine with methyl bromide.
Synonyms:exact_synonym: (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0(2,4)]nonane
 related_synonym: (-)-(1S,3s,5R,6R,7S)-6,7-epoxy-8-methyl-3-[(S)-tropoyloxy]tropanium bromide;   (S)-6beta,7beta-epoxy-8-methyl-3alpha-(-)-tropoyloxy-1alphaH,5alphaH-tromanium bromide;   Formula=C18H24BrNO4;   InChI=1S/C18H24NO4.BrH/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11;/h3-7,12-17,20H,8-10H2,1-2H3;1H/q+1;/p-1/t12-,13-,14-,15+,16-,17+;/m1./s1;   InChIKey=CXYRUNPLKGGUJF-RAFJPFSSSA-M;   N-methylhyoscine bromide;   N-methylscopolammonium bromide;   Pamine;   SMILES=[Br-].C[N+]1(C)[C@H]2C[C@@H](C[C@@H]1[C@H]1O[C@@H]21)OC(=O)[C@H](CO)c1ccccc1;   hyoscine methobromide;   hyoscine methyl bromide;   methscopolamine bromide;   methylscopolamine bromide;   scopolamine methyl bromide
 xref: CAS:155-41-9;   DrugBank:DB00462;   DrugBank:DB00747;   KEGG:D00715;   Patent:US2753288;   Reaxys:8173227


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19921
    role 19893
      biological role 19891
        biochemical role 19598
          metabolite 19585
            scopolamine 128
              scopolamine methobromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19921
    subatomic particle 19919
      composite particle 19919
        hadron 19919
          baryon 19919
            nucleon 19919
              atomic nucleus 19919
                atom 19919
                  main group element atom 19865
                    p-block element atom 19865
                      carbon group element atom 19804
                        carbon atom 19801
                          organic molecular entity 19801
                            heteroorganic entity 19558
                              organochalcogen compound 19317
                                organooxygen compound 19233
                                  carbon oxoacid 18695
                                    carboxylic acid 18692
                                      monocarboxylic acid 18028
                                        fatty acid 16848
                                          saturated fatty acid 16571
                                            propionic acid 3872
                                              2-arylpropionic acid 199
                                                hydratropic acid 199
                                                  tropic acid 197
                                                    (S)-tropic acid 197
                                                      scopolamine 128
                                                        scopolamine methobromide 0
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