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CHEBI:134699 - opicapone

Default Structure
ChEBI IDCHEBI:134699
ChEBI Nameopicapone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC15H10Cl2N4O6
Net Charge0
Average Mass413.173
Monoisotopic Mass411.99774
SMILESCc1c(Cl)c(C)[n+]([O-])c(Cl)c1-c1noc(-c2cc(O)c(O)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C15H10Cl2N4O6/c1-5-10(13(17)20(24)6(2)11(5)16)14-18-15(27-19-14)7-3-8(21(25)26)12(23)9(22)4-7/h3-4,22-23H,1-2H3
InChIKeyASOADIZOVZTJSR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
opicapone (CHEBI:134699) is a oxadiazole (CHEBI:46685)
opicapone (CHEBI:134699) is a ring assembly (CHEBI:36820)
Synonyms  Source
BIA 9-1067DrugCentral
ongentysDrugCentral
Manual XrefsDatabases
5143DrugCentral
Registry NumbersSources
CAS:923287-50-7DrugCentral