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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:dodeclonium bromide
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Accession:CHEBI:135977 term browser browse the term
Definition:The organic bromide salt of dodeclonium. It is an antispetic drug and an ingredient found in creams such as Phlebocreme and Sedorrhoide which are recommended for use in some painful anal pathologies (hemorrhoidal crisis).
Synonyms:exact_synonym: N-[2-(4-chlorophenoxy)ethyl]-N,N-dimethyldodecan-1-aminium bromide
 related_synonym: (2-(p-chlorophenoxy)ethyl)dodecyldimethylammonium bromide;   Formula=C22H39ClNO.Br;   GR 412;   InChI=1S/C22H39ClNO.BrH/c1-4-5-6-7-8-9-10-11-12-13-18-24(2,3)19-20-25-22-16-14-21(23)15-17-22;/h14-17H,4-13,18-20H2,1-3H3;1H/q+1;/p-1;   InChIKey=CKGHXNXUAQJNMJ-UHFFFAOYSA-M;   SMILES=[Br-].CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=C(Cl)C=C1;   [2-(4-chlorophenoxy)ethyl](dodecyl)dimethylazanium bromide;   bromure de dodeclonium;   bromuro de dodeclonio;   dodeclonii bromidum
 xref: CAS:15687-13-5;   Drug_Central:4462;   PMID:22742642


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      application 19423
        pharmaceutical 19321
          drug 19321
            antiinfective agent 13488
              antiseptic drug 10321
                dodeclonium bromide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19596
                        carbon atom 19586
                          organic molecular entity 19586
                            organic molecule 19519
                              organic cyclic compound 19349
                                carbocyclic compound 18304
                                  benzenoid aromatic compound 17416
                                    benzenes 17188
                                      chlorobenzenes 13600
                                        monochlorobenzenes 9741
                                          dodeclonium 0
                                            dodeclonium bromide 0
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