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CHEBI:188525 - Ocaperidone

ChEBI IDCHEBI:188525
ChEBI NameOcaperidone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25FN4O2
Net Charge0
Average Mass420.488
Monoisotopic Mass420.19615
SMILESCc1nc2c(C)cccn2c(=O)c1CCN1CCC(c2noc3cc(F)ccc23)CC1
InChIInChI=1S/C24H25FN4O2/c1-15-4-3-10-29-23(15)26-16(2)19(24(29)30)9-13-28-11-7-17(8-12-28)22-20-6-5-18(25)14-21(20)31-27-22/h3-6,10,14,17H,7-9,11-13H2,1-2H3
InChIKeyZZQNEJILGNNOEP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
Ocaperidone (CHEBI:188525) is a pyridopyrimidine (CHEBI:38932)
IUPAC Name 
3-[2-[4-(6-luoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2,9-dimethylpyrido[1,2-a]pyrimidin-4-one
Manual XrefsDatabases
64451ChemSpider
C72178KEGG COMPOUND
D02675KEGG DRUG
DB06229DrugBank
Registry NumbersSources
CAS:129029-23-8ChemIDplus