Sertraline

Synonyms: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, "Sertralina", "Sertralinum", "(+)-Sertraline", "Zoloft", "(1S-cis)-1,2,3,4-Tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine", "Sertraline [Zoloft]", "cis-(+)-sertraline"

Source: Sertraline is an antidepressant in a group of drugs called selective serotonin reuptake inhibitors (SSRIs).

Identifiers:

IUPAC Name: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CAS Number: 79617-96-2
PubChem ID: 68617
InChiKey: VGKDLMBJGBXTGI-SJCJKPOMSA-N
Canonical SMILES: CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

Structural Properties:

Molecular Formula: C₁₇H₁₇Cl₂N
Molecular Weight: 306,200

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 1
Number of atoms different from hydrogen: 20

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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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2D-structure

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