CHEBI:77040 - bromhexine(1+)

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ChEBI Name bromhexine(1+)
ChEBI ID CHEBI:77040
Definition An ammonium ion resulting from the protonation of the tertiary amino group of bromhexine. It is the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H21Br2N2
Net Charge +1
Average Mass 377.13700
Monoisotopic Mass 375.00660
InChI InChI=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
InChIKey OJGDCBLYJGHCIH-UHFFFAOYSA-O
SMILES C[NH+](Cc1cc(Br)cc(Br)c1N)C1CCCCC1
ChEBI Ontology
Outgoing bromhexine(1+) (CHEBI:77040) is a ammonium ion derivative (CHEBI:35274)
bromhexine(1+) (CHEBI:77040) is conjugate acid of bromhexine (CHEBI:77032)
Incoming 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
Last Modified
21 January 2014