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CHEBI:171719 - Quinidine barbiturate

ChEBI IDCHEBI:171719
ChEBI NameQuinidine barbiturate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H12N2O3.C20H24N2O2
Net Charge0
Average Mass556.663
Monoisotopic Mass556.26857
SMILESC=CC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12.CCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyYHRUERMOPBDCFD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Quinidine barbiturate (CHEBI:171719) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name 
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
Manual XrefsDatabases
26329517ChemSpider
DB01346DrugBank
HMDB0015436HMDB