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CHEBI:172538 - 3-oxobrimonidine

ChEBI IDCHEBI:172538
ChEBI Name3-oxobrimonidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12BrN5O
Net Charge0
Average Mass310.155
Monoisotopic Mass309.02252
SMILESO=C1CNc2ccc(NC3=NCCN3)c(Br)c2N1
InChIInChI=1S/C11H12BrN5O/c12-9-6(16-11-13-3-4-14-11)1-2-7-10(9)17-8(18)5-15-7/h1-2,15H,3-5H2,(H,17,18)(H2,13,14,16)
InChIKeyVYULKJXHCILWPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
3-oxobrimonidine (CHEBI:172538) is a quinoxaline derivative (CHEBI:38771)
IUPAC Name 
8-bromo-7-(4,5-dihydro-1H-imidazol-2-ylamino)-3,4-dihydro-1H-quinoxalin-2-one
Manual XrefsDatabases
30778625ChemSpider
HMDB0061102HMDB