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CHEBI:31514 - Domiphen bromide

ChEBI IDCHEBI:31514
ChEBI NameDomiphen bromide
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaBr.C22H40NO
Net Charge0
Average Mass414.472
Monoisotopic Mass413.22933
SMILESCCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1.[Br-]
InChIInChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1
InChIKeyOJIYIVCMRYCWSE-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
Domiphen bromide (CHEBI:31514) is a aromatic ether (CHEBI:35618)
Synonym  Source
Domiphen bromideKEGG COMPOUND
Manual XrefsDatabases
D01588KEGG DRUG
Registry NumbersSources
CAS:538-71-6KEGG COMPOUND