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Citalopram N-oxide

Properties

Image

Occurences in reactions

MNX_ID

MNXM11122

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₀H₂₁FN₂O₂

charge

mass

340.15871

reference

InChIKey

DIOGFDCEWUUSBQ-UHFFFAOYSA-N

InChI

InChI=1S/C20H21FN2O2/c1-23(2,24)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-25-20/h4-9,12H,3,10-11,14H2,1-2H3

SMILES

C[N+](C)([O-])CCCC1(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:citalo biggM:citalo seed.compound:cpd16411 seedM:cpd16411 CHEBI:80602 chebi:80602 kegg.compound:C16607 keggC:C16607	Citalopram N-oxide
hmdb:HMDB0060654	Citalopram N-oxide 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]-N,N-dimethylpropanamine oxide citalopram N-oxide
hmdb:HMDB60654 biggM:M_citalo keggC:M_C16607 seedM:M_cpd16411	secondary/obsolete/fantasy identifier