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CHEBI:169877 - Clomipramine N-oxide

ChEBI IDCHEBI:169877
ChEBI NameClomipramine N-oxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23ClN2O
Net Charge0
Average Mass330.859
Monoisotopic Mass330.14989
SMILESC[N+](C)([O-])CCCN1c2ccccc2CCc2ccc(Cl)cc21
InChIInChI=1S/C19H23ClN2O/c1-22(2,23)13-5-12-21-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)21/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
InChIKeyARNOTLDVJSFYBP-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)
Clomipramine N-oxide (CHEBI:169877) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine oxide
Manual XrefsDatabases
22546797ChemSpider
HMDB0060577HMDB
Registry NumbersSources
CAS:14171-67-6ChemIDplus