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Demethylcitalopram

Properties

Image

Occurences in reactions

MNX_ID

MNXM5122

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₉H₁₉FN₂O

charge

mass

310.14814

reference

InChIKey

PTJADDMMFYXMMG-UHFFFAOYSA-N

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

SMILES

CNCCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:dmcital biggM:dmcital seed.compound:cpd16412 seedM:cpd16412 CHEBI:80603 chebi:80603 kegg.compound:C16608 keggC:C16608	Demethylcitalopram
hmdb:HMDB0014021	N-Desmethylcitalopram 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile Monodesmethylcitalopram Monodesmethylcitalopram monohydrochloride Monodesmethylcitalopram oxalate demethylcitalopram
envipath:...5ef32c4162d3 envipathM:...5ef32c4162d3	compound 0039297
hmdb:HMDB14021 biggM:M_dmcital keggC:M_C16608 seedM:M_cpd16412	secondary/obsolete/fantasy identifier