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CHEBI:167679 - garomefrine(1+)

ChEBI IDCHEBI:167679
ChEBI Namegaromefrine(1+)
Stars
DefinitionA primary ammonium ion that is the conjugate acid of garomefrine, obtained from the protonation of the primary amino group. Major microspecies at pH 7.3.
Last Modified15 March 2021
SubmitterAdnan
DownloadsMolfile
FormulaC9H14FN2O3S
Net Charge+1
Average Mass249.287
Monoisotopic Mass249.07037
SMILESCS(=O)(=O)Nc1ccc(F)c([C@@H](O)C[NH3+])c1
InChIInChI=1S/C9H13FN2O3S/c1-16(14,15)12-6-2-3-8(10)7(4-6)9(13)5-11/h2-4,9,12-13H,5,11H2,1H3/p+1/t9-/m0/s1
InChIKeyXYLJNMCMDOOJRW-VIFPVBQESA-O
ChEBI Ontology
Outgoing Relation(s)
garomefrine(1+) (CHEBI:167679) is a primary ammonium ion (CHEBI:65296)
garomefrine(1+) (CHEBI:167679) is conjugate acid of garomefrine (CHEBI:167667)
Incoming Relation(s)
garomefrine hydrochloride (CHEBI:167680) has part garomefrine(1+) (CHEBI:167679)
garomefrine (CHEBI:167667) is conjugate base of garomefrine(1+) (CHEBI:167679)
IUPAC Name 
(2R)-2-{2-fluoro-5-[(methylsulfonyl)amino]phenyl}-2-hydroxyethanaminium
Synonym  Source
garomefrine cationChEBI