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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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Term Annotations click to browse term
  CHEBI ontology 19821
    chemical entity 19821
      atom 19819
        nonmetal atom 19707
          halogen 18171
            bromine atom 5679
              bromine molecular entity 5679
                bromide salt 39
                  demecarium bromide 0
Path 2
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  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    main group molecular entity 19716
                      s-block molecular entity 19502
                        hydrogen molecular entity 19498
                          hydrides 18852
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  ammonium 8228
                                    ammonium ion derivative 8224
                                      quaternary ammonium ion 5108
                                        quaternary nitrogen compound 619
                                          quaternary ammonium salt 307
                                            demecarium bromide 0
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