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CHEBI:80602 - Citalopram N-oxide

ChEBI IDCHEBI:80602
ChEBI NameCitalopram N-oxide
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DownloadsMolfile
FormulaC20H21FN2O2
Net Charge0
Average Mass340.398
Monoisotopic Mass340.15871
SMILESCN(C)(=O)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChIInChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3
InChIKeyDIOGFDCEWUUSBQ-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Citalopram N-oxide (CHEBI:80602) is a benzenes (CHEBI:22712)
Citalopram N-oxide (CHEBI:80602) is a organic amino compound (CHEBI:50047)
Manual XrefsDatabases
C16607KEGG COMPOUND
HMDB0060654HMDB