Escitalopram

Synonyms: Escitalopram, "(S)-Citalopram", "Lexapro", "escitalopramum", "UNII-4O4S742ANY", "Esertia", "Escitalopram (INN)", "(1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile", "(+)-(S)-1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthalancarbonitrile", "escitalopram oxalate inn"

Source: Escitalopram is?used to treat depression and anxiety.

Identifiers:

IUPAC Name: (1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
CAS Number: 128196-01-0
PubChem ID: 146570
InChiKey: WSEQXVZVJXJVFP-FQEVSTJZSA-N
Canonical SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F

Structural Properties:

Molecular Formula: C₂₀H₂₁FN₂O
Molecular Weight: 324,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 24

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Evidence Supporting This Chemical as an Emerging Contaminant

Mailler, R., Gasperi, J., Patureau, D., Vulliet, E., Delgenes, N., Danel, A., ... & Chebbo, G. (2017). Fate of emerging and priority micropollutants during the sewage sludge treatment: Case study of Paris conurbation. Part 1: Contamination of the different types of sewage sludge. Waste management, 59, 379-393.

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