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CHEBI:169893 - Clozapine N-oxide

ChEBI IDCHEBI:169893
ChEBI NameClozapine N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19ClN4O
Net Charge0
Average Mass342.830
Monoisotopic Mass342.12474
SMILESC[N+]1([O-])CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1
InChIInChI=1S/C18H19ClN4O/c1-23(24)10-8-22(9-11-23)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
InChIKeyOGUCZBIQSYYWEF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Clozapine N-oxide (CHEBI:169893) is a dibenzodiazepine (CHEBI:64051)
IUPAC Name 
3-chloro-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-11H-benzo[b][1,4]benzodiazepine
Manual XrefsDatabases
21169512ChemSpider
HMDB0060900HMDB
Registry NumbersSources
CAS:34233-69-7ChemIDplus