Trazodone

Synonyms: trazodone, "Trazodon", "Trazodonum", "Trazonil", "Trazodona", "Trazalon", "Desirel", "Beneficat", "Sideril", "Trazodil", "Trialodine", "Desyrel", "Trittico", "Molipaxin", "Trazolan", "Desyrel Dividose", "Oleptro"

Source: Trazodone is an antidepressant.

Identifiers:

IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS Number: 19794-93-5
PubChem ID: 5533
InChiKey: PHLBKPHSAVXXEF-UHFFFAOYSA-N
Canonical SMILES: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl

Structural Properties:

Molecular Formula: C₁₉H₂₂ClN₅O
Molecular Weight: 371,900

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 4
Number of atoms different from hydrogen: 26

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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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