Paroxetine

Synonyms: paroxetine,"Paxil", "Paxil CR", "Seroxat", "Paxetil", "Frosinor", "Paroxetinum", "Paroxetina", "Motivan", "Casbol", "Aropax", "PaxPar", "BRL 29060", "FG 7051", "Pexeva", "(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine", "(3s,4r)-3-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine", "[3H]Paroxetine", "Paroxetine Acetate", "(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine"

Source: Paroxetine is used to treat depression, obsessive-compulsive disorder, anxiety disorders and post-traumatic stress disorder

Identifiers:

IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
CAS Number: 61869-08-7
PubChem ID: 43815
InChiKey: AHOUBRCZNHFOSL-YOEHRIQHSA-N
Canonical SMILES: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4

Structural Properties:

Molecular Formula: C₁₉H₂₀FNO₃
Molecular Weight: 329,400

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 24

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Evidence Supporting This Chemical as an Emerging Contaminant

Banjac, Z., Ginebreda, A., Kuzmanovic, M., Marc?, R., Nadal, M., Riera, J. M., & Barcel?, D. (2015). Emission factor estimation of ca. 160 emerging organic microcontaminants by inverse modeling in a Mediterranean river basin (Llobregat, NE Spain). Science of the Total Environment, 520, 241-252.

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