CHEBI:31514 - Domiphen bromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Domiphen bromide
ChEBI ID CHEBI:31514
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C22H40BrNO
C22H40NO.Br
Net Charge 0
Average Mass 414.463
Monoisotopic Mass 413.22933
InChI InChI=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
InChIKey OJIYIVCMRYCWSE-UHFFFAOYSA-M
SMILES C=1C=CC(OCC[N+](C)(C)CCCCCCCCCCCC)=CC1.[Br-]
ChEBI Ontology
Outgoing Domiphen bromide (CHEBI:31514) is a aromatic ether (CHEBI:35618)
Synonym Source
Domiphen bromide KEGG COMPOUND
Manual Xref Database
D01588 KEGG DRUG
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Registry Number Type Source
538-71-6 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017