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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:demecarium bromide
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Accession:CHEBI:4391 term browser browse the term
Definition:The methobromide salt of the N,N'-bis[3-(dimethylamino)phenyl carbamate] derivative of 2,13-diazatetradecane. It is an inhibitor of acetylcholinesterase and pseudocholinesterase, with a long duration of action. It is used in the treatment of chronic open-angle glaucoma: in the eye, it causes constriction of the iris sphincter muscle and the ciliary muscle, facilitating the outflow of the aqueous humor and so reducing intraocular pressure.
Synonyms:exact_synonym: 3,3'-{decane-1,10-diylbis[(methylcarbamoyl)oxy]}bis(N,N,N-trimethylanilinium) dibromide
 related_synonym: (m-hydroxyphenyl)trimethylammonium bromide decamethylenebis(methylcarbamate);   Formula=C32H52Br2N4O4;   InChI=1S/C32H52N4O4.2BrH/c1-33(31(37)39-29-21-17-19-27(25-29)35(3,4)5)23-15-13-11-9-10-12-14-16-24-34(2)32(38)40-30-22-18-20-28(26-30)36(6,7)8;;/h17-22,25-26H,9-16,23-24H2,1-8H3;2*1H/q+2;;/p-2;   InChIKey=YHKBUDZECQDYBR-UHFFFAOYSA-L;   N,N'-bis(3-trimethylammoniumphenoxycarbonyl)-N,N'-dimethyldecamethylenediamine dibromide;   SMILES=[Br-].[Br-].CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc1cccc(c1)[N+](C)(C)C;   bromure de demecarium;   bromuro de demecario;   decamethylenebis(N-methylcarbamic acid m-dimethylaminophenyl ester) bromomethylate;   decamethylenebis(m-dimethylaminophenyl-N-methylcarbamate)dimethobromide;   demecarii bromidum
 xref: Beilstein:3880925;   CAS:56-94-0;   DrugBank:DB00944;   KEGG:D00667;   Wikipedia:Demecarium_Bromide


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  CHEBI ontology 19921
    chemical entity 19919
      atom 19919
        nonmetal atom 19848
          halogen 18718
            bromine atom 7511
              bromine molecular entity 7511
                bromide salt 39
                  demecarium bromide 0
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  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
                    main group molecular entity 19865
                      s-block molecular entity 19697
                        hydrogen molecular entity 19678
                          hydrides 19184
                            inorganic hydride 18194
                              pnictogen hydride 18184
                                nitrogen hydride 18096
                                  ammonium 8324
                                    ammonium ion derivative 8319
                                      ammonium compound 5211
                                        organoammonium salt 668
                                          quaternary ammonium salt 550
                                            demecarium bromide 0
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