CHEBI:80602 - Citalopram N-oxide

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ChEBI Name Citalopram N-oxide
ChEBI ID CHEBI:80602
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H21FN2O2
Net Charge 0
Average Mass 340.39130
Monoisotopic Mass 340.15871
InChI InChI=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
InChIKey DIOGFDCEWUUSBQ-UHFFFAOYSA-N
SMILES CN(C)(=O)CCCC1(OCc2cc(ccc12)C#N)c1ccc(F)cc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Citalopram N-oxide (CHEBI:80602) is a benzenes (CHEBI:22712)
Citalopram N-oxide (CHEBI:80602) is a organic amino compound (CHEBI:50047)
Manual Xrefs Databases
C16607 KEGG COMPOUND
HMDB0060654 HMDB
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