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CHEBI:167667 - garomefrine

ChEBI IDCHEBI:167667
ChEBI Namegaromefrine
Stars
DefinitionA sulfonamide that is benzene substituted by (methylsulfonyl)amino, (1R)-2-amino-1-hydroxyethyl and fluoro groups at positions 1, 3 and 4, respectively. It is a selective agonist of α1A adrenoreceptor.
Last Modified15 March 2021
SubmitterR. Stephan
DownloadsMolfile
FormulaC9H13FN2O3S
Net Charge0
Average Mass248.279
Monoisotopic Mass248.06309
SMILESCS(=O)(=O)Nc1ccc(F)c([C@@H](O)CN)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/t9-/m0/s1
InChIKeyXYLJNMCMDOOJRW-VIFPVBQESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
alpha-adrenergic agonist  An agent that selectively binds to and activates α-adrenergic receptors.
Application:
alpha-adrenergic agonist  An agent that selectively binds to and activates α-adrenergic receptors.
ChEBI Ontology
Outgoing Relation(s)
garomefrine (CHEBI:167667) has role α-adrenergic agonist (CHEBI:35569)
garomefrine (CHEBI:167667) is a ethanolamines (CHEBI:23981)
garomefrine (CHEBI:167667) is a monofluorobenzenes (CHEBI:83575)
garomefrine (CHEBI:167667) is a primary amino compound (CHEBI:50994)
garomefrine (CHEBI:167667) is a secondary alcohol (CHEBI:35681)
garomefrine (CHEBI:167667) is a sulfonamide (CHEBI:35358)
garomefrine (CHEBI:167667) is conjugate base of garomefrine(1+) (CHEBI:167679)
Incoming Relation(s)
garomefrine(1+) (CHEBI:167679) is conjugate acid of garomefrine (CHEBI:167667)
IUPAC Name 
N-{3-[(1R)-2-amino-1-hydroxyethyl]-4-fluorophenyl}methanesulfonamide
Synonyms  Source
NS-49 (free base)ChEBI
(−)-garomefrinChemIDplus
Manual XrefsDatabases
8014483ChemSpider
Registry NumbersSources
CAS:137431-02-8ChemIDplus
Citations