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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 19762
    role 19708
      chemical role 19254
        emulsifier 4398
          surfactant 4398
            benzododecinium chloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19762
    subatomic particle 19760
      composite particle 19760
        hadron 19760
          baryon 19760
            nucleon 19760
              atomic nucleus 19760
                atom 19760
                  main group element atom 19651
                    main group molecular entity 19651
                      s-block molecular entity 19418
                        hydrogen molecular entity 19413
                          hydrides 18746
                            inorganic hydride 17471
                              pnictogen hydride 17448
                                nitrogen hydride 17302
                                  ammonium 8214
                                    ammonium ion derivative 8210
                                      ammonium compound 5073
                                        organoammonium salt 423
                                          quaternary ammonium salt 307
                                            benzododecinium chloride 0
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