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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 19747
    role 19720
      chemical role 19363
        emulsifier 4871
          surfactant 4871
            benzododecinium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19747
    subatomic particle 19745
      composite particle 19745
        hadron 19745
          baryon 19745
            nucleon 19745
              atomic nucleus 19745
                atom 19745
                  main group element atom 19693
                    main group molecular entity 19693
                      s-block molecular entity 19547
                        hydrogen molecular entity 19540
                          hydrides 19024
                            inorganic hydride 17952
                              pnictogen hydride 17937
                                nitrogen hydride 17834
                                  ammonium 8302
                                    ammonium ion derivative 8298
                                      ammonium compound 5189
                                        organoammonium salt 643
                                          quaternary ammonium salt 531
                                            benzododecinium chloride 0
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