Azaperol

Synonyms: Azaperol, "1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol"

Source: Azaperol is a metabolite of azaperone.

Identifiers:

IUPAC Name: 1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-ol
CAS Number: 09/05/2804
PubChem ID: 3080589
InChiKey: LVXYAFNPMXCRJI-UHFFFAOYSA-N
Canonical SMILES: C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=CC=CC=N3

Structural Properties:

Molecular Formula: C₁₉H₂₄FN₃O
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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2D-structure

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