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

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ChEBI Name 4-(4-(P-Chlorophenyl)-2,5,6-Trihydropyridino)-4'-Fluorobutyrophenone
ChEBI ID CHEBI:177523
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C21H21ClFNO
Net Charge 0
Average Mass 357.850
Monoisotopic Mass 357.12957
InChI InChI=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
InChIKey ZNOLNAPJKOYTHY-UHFFFAOYSA-N
SMILES ClC1=CC=C(C=2CCN(CCCC(=O)C3=CC=C(F)C=C3)CC2)C=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
149659 ChemSpider
HMDB0060905 HMDB
UTD PDBeChem
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Registry Number Type Source
52669-92-8 CAS Registry Number ChemIDplus