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Citalopram aldehyde

Properties

Image

Occurences in reactions

MNX_ID

MNXM3565

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

formula

C₁₈H₁₄FNO₂

charge

mass

295.10086

reference

InChIKey

BBYAFETUIKMLSF-UHFFFAOYSA-N

InChI

InChI=1S/C18H14FNO2/c19-16-5-3-15(4-6-16)18(8-1-9-21)17-7-2-13(11-20)10-14(17)12-22-18/h2-7,9-10H,1,8,12H2

SMILES

N#Cc1ccc2c(c1)COC2(CCC=O)c1ccc(F)cc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:citalald biggM:citalald seed.compound:cpd16416 seedM:cpd16416 CHEBI:80607 chebi:80607 kegg.compound:C16612 keggC:C16612	Citalopram aldehyde
hmdb:HMDB0060462	Citalopram aldehyde 1-(4-fluorophenyl)-1-(3-oxopropyl)-1,3-dihydro-2-benzofuran-5-carbonitrile citalopram aldehyde
envipath:...5e92b12d6978 envipathM:...5e92b12d6978	compound 0039299
hmdb:HMDB60462 biggM:M_citalald keggC:M_C16612 seedM:M_cpd16416	secondary/obsolete/fantasy identifier