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CHEBI:177523 - 4-(4-(P-Chlorophenyl)-2,5,6-Trihydropyridino)-4'-Fluorobutyrophenone

ChEBI IDCHEBI:177523
ChEBI Name4-(4-(P-Chlorophenyl)-2,5,6-Trihydropyridino)-4'-Fluorobutyrophenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21ClFNO
Net Charge0
Average Mass357.856
Monoisotopic Mass357.12957
SMILESO=C(CCCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2
InChIKeyZNOLNAPJKOYTHY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
4-(4-(P-Chlorophenyl)-2,5,6-Trihydropyridino)-4'-Fluorobutyrophenone (CHEBI:177523) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
4-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-(4-luorophenyl)butan-1-one
Manual XrefsDatabases
UTDPDBeChem
149659ChemSpider
HMDB0060905HMDB
Registry NumbersSources
CAS:52669-92-8ChemIDplus