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CHEBI:751988 - deditonium bromide

Default Structure
ChEBI IDCHEBI:751988
ChEBI Namededitonium bromide
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaBr.C38H66N2O2.Br
Net Charge0
Average Mass742.766
Monoisotopic Mass740.34910
SMILESCc1ccc(C(C)C)c(OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOc2cc(C)ccc2C(C)C)c1.[Br-].[Br-]
InChIInChI=1S/C38H66N2O2.2BrH/c1-31(2)35-21-19-33(5)29-37(35)41-27-25-39(7,8)23-17-15-13-11-12-14-16-18-24-40(9,10)26-28-42-38-30-34(6)20-22-36(38)32(3)4;;/h19-22,29-32H,11-18,23-28H2,1-10H3;2*1H/q+2;;/p-2
InChIKeyKRJLZXUYKFHTSN-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
deditonium bromide (CHEBI:751988) is a quaternary ammonium salt (CHEBI:35273)
INNs  Source
bromure de deditoniumWHO MedNet
bromuro de deditonioWHO MedNet
deditonium bromideWHO MedNet