{ "iri" : "http://purl.obolibrary.org/obo/CHEBI_3173", "lang" : "en", "description" : [ "The tosylate salt of bretylium. It blocks noradrenaline release from the peripheral sympathetic nervous system, and is used in emergency medicine, cardiology, and other specialties for the acute management of ventricular tachycardia and ventricular fibrillation." ], "synonyms" : [ "N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate", "(2-bromobenzyl)ethyldimethylammonium toluene-4-sulfonate", "(2-bromobenzyl)ethyldimethylammonium tosylate", "(o-bromobenzyl)ethyldimethylammonium p-toluenesulfonate", "2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methylbenzenesulfonate", "N-ethyl-N-o-bromobenzyl-N,N-dimethylammonium tosylate", "bretylii tosilas", "dimethylethyl-o-bromobenzylammonium-p-toluenesulphonate", "tosilate de bretylium", "tosilato de bretilio" ], "annotation" : { "charge" : [ "0" ], "formula" : [ "C18H24BrNO3S" ], "has_dbxref" : [ "Beilstein:5702258", "CAS:61-75-6", "DrugBank:DB01158", "KEGG:D00645", "Patent:US3038004" ], "has_obo_namespace" : [ "chebi_ontology" ], "id" : [ "CHEBI:3173" ], "inchi" : [ "InChI=1S/C11H17BrN.C7H8O3S/c1-4-13(2,3)9-10-7-5-6-8-11(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H,4,9H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1" ], "inchikey" : [ "KVWNWTZZBKCOPM-UHFFFAOYSA-M" ], "mass" : [ "414.35700" ], "monoisotopicmass" : [ "413.06603" ], "smiles" : [ "Cc1ccc(cc1)S([O-])(=O)=O.CC[N+](C)(C)Cc1ccccc1Br" ] }, "label" : "bretylium tosylate", "ontology_name" : "slm", "ontology_prefix" : "SLM", "ontology_iri" : "https://swisslipids.org/rdf/SLM_", "is_obsolete" : false, "term_replaced_by" : null, "is_defining_ontology" : false, "has_children" : false, "is_root" : false, "short_form" : "CHEBI_3173", "obo_id" : "CHEBI:3173", "in_subset" : [ "3_STAR" ], "obo_definition_citation" : null, "obo_xref" : [ { "database" : "Beilstein", "id" : "5702258", "description" : "Beilstein", "url" : null }, { "database" : "CAS", "id" : "61-75-6", "description" : "ChemIDplus", "url" : null }, { "database" : "DrugBank", "id" : "DB01158", "description" : null, "url" : "http://www.drugbank.ca/drugs/DB01158" }, { "database" : "KEGG", "id" : "D00645", "description" : null, "url" : "http://www.kegg.jp/entry/D00645" }, { "database" : "Patent", "id" : "US3038004", "description" : null, "url" : "https://www.google.com/patents/US3038004" } ], "obo_synonym" : [ { "name" : "N-(2-bromobenzyl)-N,N-dimethylethanaminium 4-methylbenzenesulfonate", "scope" : "hasExactSynonym", "type" : "IUPAC NAME", "xrefs" : [ { "database" : null, "id" : "IUPAC", "description" : null, "url" : null } ] }, { "name" : "(2-bromobenzyl)ethyldimethylammonium toluene-4-sulfonate", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChEBI", "description" : null, "url" : null } ] }, { "name" : "(2-bromobenzyl)ethyldimethylammonium tosylate", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChEBI", "description" : null, "url" : null } ] }, { "name" : "(o-bromobenzyl)ethyldimethylammonium p-toluenesulfonate", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "2-bromo-N-ethyl-N,N-dimethylbenzenemethanaminium 4-methylbenzenesulfonate", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "N-ethyl-N-o-bromobenzyl-N,N-dimethylammonium tosylate", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "bretylii tosilas", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "dimethylethyl-o-bromobenzylammonium-p-toluenesulphonate", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "tosilate de bretylium", "scope" : "hasRelatedSynonym", "type" : "INN", "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "tosilato de bretilio", "scope" : "hasRelatedSynonym", "type" : "INN", "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] } ], "is_preferred_root" : false, "_links" : { "self" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173?lang=en" }, "parents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/parents" }, "ancestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/ancestors" }, "hierarchicalParents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/hierarchicalParents" }, "hierarchicalAncestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/hierarchicalAncestors" }, "jstree" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/jstree" }, "graph" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/graph" }, "has_part" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FBFO_0000051" }, "has_role" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/slm/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_3173/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FRO_0000087" } } }