CHEBI:31510 - Diponium bromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Diponium bromide
ChEBI ID CHEBI:31510
Stars This entity has been manually annotated by a third party.
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Formulae C20H38BrNO2
C20H38NO2.Br
Net Charge 0
Average Mass 404.426
Monoisotopic Mass 403.20859
InChI InChI=1S/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,1-3H3;1H/q+1;/p-1
InChIKey ADZXDFALMZGPTN-UHFFFAOYSA-M
SMILES [Br-].C1CCCC1C(C(OCC[N+](CC)(CC)CC)=O)C2CCCC2
ChEBI Ontology
Outgoing Diponium bromide (CHEBI:31510) is a quaternary ammonium salt (CHEBI:35273)
Synonyms Sources
Dipenine bromide KEGG COMPOUND
Diponium bromide KEGG COMPOUND
Manual Xref Database
D01463 KEGG DRUG
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Registry Number Type Source
2001-81-2 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017