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CHEBI:77040 - bromhexine(1+)

ChEBI IDCHEBI:77040
ChEBI Namebromhexine(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of bromhexine. It is the major species at pH 7.3.
Last Modified21 January 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC14H21Br2N2
Net Charge+1
Average Mass377.144
Monoisotopic Mass375.00660
SMILESC[NH+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1
InChIInChI=1S/C14H20Br2N2/c1-18(12-5-3-2-4-6-12)9-10-7-11(15)8-13(16)14(10)17/h7-8,12H,2-6,9,17H2,1H3/p+1
InChIKeyOJGDCBLYJGHCIH-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
bromhexine(1+) (CHEBI:77040) is a ammonium ion derivative (CHEBI:35274)
bromhexine(1+) (CHEBI:77040) is conjugate acid of bromhexine (CHEBI:77032)
Incoming Relation(s)
bromhexine hydrochloride (CHEBI:31303) has part bromhexine(1+) (CHEBI:77040)
bromhexine (CHEBI:77032) is conjugate base of bromhexine(1+) (CHEBI:77040)
IUPAC Name 
N-(2-amino-3,5-dibromobenzyl)-N-methylcyclohexanaminium