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CHEBI:229894 - setoperone

ChEBI IDCHEBI:229894
ChEBI Namesetoperone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24FN3O2S
Net Charge0
Average Mass401.507
Monoisotopic Mass401.15733
SMILESCc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2
InChIInChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
InChIKeyRBGAHDDQSRBDOG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
setoperone (CHEBI:229894) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
6-[2-[4-(4-luorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Manual XrefsDatabases
61870ChemSpider
D02686KEGG DRUG
HMDB0258263HMDB