setoperone (CHEBI:229894)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	setoperone

ChEBI ID	CHEBI:229894

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H24FN3O2S

Net Charge

Average Mass

401.500

Monoisotopic Mass

401.15733

InChI

InChI=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

InChIKey

RBGAHDDQSRBDOG-UHFFFAOYSA-N

SMILES

S1C=2N(C(=O)C(CCN3CCC(CC3)C(=O)C4=CC=C(F)C=C4)=C(N2)C)CC1

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	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