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CHEBI:77040 - bromhexine(1+)
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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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