EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177744 - fluanisone

ChEBI IDCHEBI:177744
ChEBI Namefluanisone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25FN2O2
Net Charge0
Average Mass356.441
Monoisotopic Mass356.19001
SMILESCOc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
InChIKeyIRYFCWPNDIUQOW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
fluanisone (CHEBI:177744) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
1-(4-luorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
Manual XrefsDatabases
D02621KEGG DRUG
14410ChemSpider
DB13665DrugBank
Registry NumbersSources
CAS:1480-19-9ChemIDplus