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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:benzododecinium chloride
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Accession:CHEBI:167208 term browser browse the term
Definition:The organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations.
Synonyms:exact_synonym: N-benzyl-N,N-dimethyldodecan-1-aminium chloride
 related_synonym: Catigene OM;   Catinal CB 50;   Catiogen PAN;   Catiolite BC 50;   Cequartyl A;   Formula=C21H38N.Cl;   InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1;   InChIKey=JBIROUFYLSSYDX-UHFFFAOYSA-M;   N,N-dimethyl-N-dodecylbenzenemethanaminium chloride;   N-benzyl-N-dodecyl-N,N-dimethylammonium chloride;   N-dodecyl-N,N-dimethyl-N-benzylammonium chloride;   N-dodecyl-N,N-dimethylbenzenemethanaminium chloride;   N-lauryldimethylbenzylammonium chloride;   Rolcril;   SMILES=[Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1;   Swanol;   Tetranil;   Zephirol;   benzododecinii chloridum;   benzyl-dodecyl-dimethylazanium chloride;   benzyldimethyl-n-dodecylammonium chloride;   benzyldimethyldodecylammonium chloride;   benzyldimethyllaurylammonium chloride;   benzyldodecyldimethylammonium chloride;   chlorure de benzododecinium;   cloruro de benzododecinio;   dimethylbenzyldodecylammonium chloride;   dimethylbenzyllaurylammonium chloride;   dimethyldodecylbenzylammonium chloride;   dodecylbenzyldimethylammonium chloride;   dodecyldimethylbenzylammonium chloride;   lauryl dimethyl benzyl ammonium chloride;   laurylbenzyldimethylammonium chloride;   lauryldimethylbenzylammonium chloride
 xref: CAS:139-07-1;   Chemspider:8423;   KEGG:D07210;   PMID:10502386;   PMID:1218610;   PMID:20993;   PMID:21393196;   PMID:22563942;   PMID:23317851;   PMID:26552532;   PMID:27269251;   PMID:28927165;   PMID:29175345;   PMID:30669421;   PMID:31459099;   PMID:32958787;   PMID:4660474;   PMID:5122544;   PMID:5581135;   PMID:6121844;   PMID:8091336;   Reaxys:3921689



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19911
    role 19854
      chemical role 19507
        emulsifier 7547
          surfactant 7533
            benzododecinium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19911
    subatomic particle 19909
      composite particle 19909
        hadron 19880
          baryon 19880
            nucleon 19909
              atomic nucleus 19880
                atom 19909
                  main group element atom 19849
                    main group molecular entity 19849
                      s-block molecular entity 19681
                        hydrogen molecular entity 19662
                          hydrides 19167
                            inorganic hydride 18182
                              pnictogen hydride 18172
                                nitrogen hydride 18085
                                  ammonium 8307
                                    ammonium ion derivative 8322
                                      ammonium compound 5197
                                        organoammonium salt 674
                                          quaternary ammonium salt 550
                                            benzododecinium chloride 0
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