Buspirone

Synonyms: "buspirone", "Buspironum", "Ansiced", "Axoren", "8-(4-(4-(2-Pyrimidinyl)-1-piperizinyl)butyl)-8-azaspiro(4,5)decane-7,9-dione", "8-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)-8-azaspiro[4.5]decane-7,9-dione", "8-Azaspiro(4.5)decane-7,9"

Source: Buspirone is an anti-anxiety drug.

Identifiers:

IUPAC Name: 8-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-8-azaspiro[4.5]decane-7,9-dione
CAS Number: 36505-84-7
PubChem ID: 2477
InChiKey: QWCRAEMEVRGPNT-UHFFFAOYSA-N
Canonical SMILES: C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4

Structural Properties:

Molecular Formula: C₂₁H₃₁N₅O₂
Molecular Weight: 385.5

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 6
Number of atoms different from hydrogen: 28

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Evidence Supporting This Chemical as an Emerging Contaminant

Ikehata, K., Gamal El-Din, M., & Snyder, S. A. (2008). Ozonation and advanced oxidation treatment of emerging organic pollutants in water and wastewater. Ozone: Science and Engineering, 30(1), 21-26.

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2D-structure

3D-structure