CHEBI:80603 - Demethylcitalopram

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ChEBI Name Demethylcitalopram
ChEBI ID CHEBI:80603
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H19FN2O
Net Charge 0
Average Mass 310.36540
Monoisotopic Mass 310.14814
InChI InChI=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
InChIKey PTJADDMMFYXMMG-UHFFFAOYSA-N
SMILES CNCCCC1(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 Demethylcitalopram (CHEBI:80603) is a benzenes (CHEBI:22712)
Demethylcitalopram (CHEBI:80603) is a organic amino compound (CHEBI:50047)
Manual Xrefs Databases
C16608 KEGG COMPOUND
HMDB0014021 HMDB
HMDB0060576 HMDB
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Registry Number Type Source
62498-67-3 CAS Registry Number KEGG COMPOUND