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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    chemical entity 19791
      atom 19788
        nonmetal atom 19662
          halogen 18036
            bromine atom 5483
              bromine molecular entity 5483
                bromide salt 39
                  demecarium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    main group molecular entity 19675
                      s-block molecular entity 19420
                        hydrogen molecular entity 19411
                          hydrides 18460
                            inorganic hydride 17430
                              pnictogen hydride 17402
                                nitrogen hydride 17245
                                  ammonium 8227
                                    ammonium ion derivative 8223
                                      quaternary ammonium ion 5088
                                        quaternary nitrogen compound 561
                                          quaternary ammonium salt 307
                                            demecarium bromide 0
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