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CHEBI:80604 - Didemethylcitalopram

ChEBI IDCHEBI:80604
ChEBI NameDidemethylcitalopram
Stars
DownloadsMolfile
FormulaC18H17FN2O
Net Charge0
Average Mass296.345
Monoisotopic Mass296.13249
SMILESN#Cc1ccc2c(c1)COC2(CCCN)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2
InChIKeyRKUKMUWCRLRPEJ-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)
Didemethylcitalopram (CHEBI:80604) is a benzenes (CHEBI:22712)
Didemethylcitalopram (CHEBI:80604) is a organic amino compound (CHEBI:50047)
Manual XrefsDatabases
C16609KEGG COMPOUND
HMDB0060472HMDB
Registry NumbersSources
CAS:62498-69-5KEGG COMPOUND