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Citalopram propionic acid

Properties

Image

Occurences in reactions

MNX_ID

MNXM11123

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₈H₁₄FNO₃

charge

mass

311.09577

reference

InChIKey

JSYNRZJODZWUKX-UHFFFAOYSA-N

InChI

InChI=1S/C18H14FNO3/c19-15-4-2-14(3-5-15)18(8-7-17(21)22)16-6-1-12(10-20)9-13(16)11-23-18/h1-6,9H,7-8,11H2,(H,21,22)

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:citalppa biggM:citalppa seed.compound:cpd16414 seedM:cpd16414 CHEBI:80605 chebi:80605 kegg.compound:C16610 keggC:C16610	Citalopram propionic acid
hmdb:HMDB0060463	Citalopram propionic acid 3-[5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl]propanoic acid Citalopram propionate citalopram propionic acid
envipath:...a40e5385e9f3 envipathM:...a40e5385e9f3	compound 0039312
hmdb:HMDB60463 biggM:M_citalppa keggC:M_C16610 seedM:M_cpd16414	secondary/obsolete/fantasy identifier