CHEBI:80604 - Didemethylcitalopram

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ChEBI Name Didemethylcitalopram ChEBI ID CHEBI:80604 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H17FN2O Net Charge 0 Average Mass 296.33880 Monoisotopic Mass 296.13249 InChI InChI=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 InChIKey RKUKMUWCRLRPEJ-UHFFFAOYSA-N SMILES NCCCC1(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 ) View more via ChEBI Ontology ChEBI Ontology Outgoing Didemethylcitalopram (CHEBI:80604) is a benzenes (CHEBI:22712) Didemethylcitalopram (CHEBI:80604) is a organic amino compound (CHEBI:50047) Manual Xrefs Databases C16609 KEGG COMPOUND HMDB0060472 HMDB View more database links Registry Number Type Source 62498-69-5 CAS Registry Number KEGG COMPOUND