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CHEBI:80603 - Demethylcitalopram

ChEBI IDCHEBI:80603
ChEBI NameDemethylcitalopram
Stars
DownloadsMolfile
FormulaC19H19FN2O
Net Charge0
Average Mass310.372
Monoisotopic Mass310.14814
SMILESCNCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChIInChI=1S/C19H19FN2O/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19/h3-8,11,22H,2,9-10,13H2,1H3
InChIKeyPTJADDMMFYXMMG-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)
Demethylcitalopram (CHEBI:80603) is a benzenes (CHEBI:22712)
Demethylcitalopram (CHEBI:80603) is a organic amino compound (CHEBI:50047)
Manual XrefsDatabases
C16608KEGG COMPOUND
HMDB0014021HMDB
HMDB0060576HMDB
Registry NumbersSources
CAS:62498-67-3KEGG COMPOUND