CHEBI:177415 - fluspiperone

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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 fluspiperone
ChEBI ID CHEBI:177415
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H25F2N3O2
Net Charge 0
Average Mass 413.469
Monoisotopic Mass 413.19148
InChI InChI=1S/C23H25F2N3O2/c24-18-5-3-17(4-6-18)21(29)2-1-13-27-14-11-23(12-15-27)22(30)26-16-28(23)20-9-7-19(25)8-10-20/h3-10H,1-2,11-16H2,(H,26,30)
InChIKey RIOZXKPJYKSKJV-UHFFFAOYSA-N
SMILES FC1=CC=C(N2C3(CCN(CC3)CCCC(=O)C4=CC=C(F)C=C4)C(=O)NC2)C=C1
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing fluspiperone (CHEBI:177415) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-(4-luorophenyl)-8-[4-(4-luorophenyl)-4-oxobutyl]-1,3,8-triazaspiro[4.5]decan-4-one
Manual Xrefs Databases
145743 ChemSpider
D02661 KEGG DRUG
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Registry Number Type Source
54965-22-9 CAS Registry Number ChemIDplus