Acebutolol

Synonyms: Acetobutolol, "Neptal", "Acebutololum", "Acebutololo", "N-(3-Acetyl-4-(2-hydroxy-3-(isopropylamino)propoxy)phenyl)butyramide", "5'-Butyramido-2'-(2-hydroxy-3-isopropylaminopropoxy)acetophenone", "3'-Acetyl-4'-(2-hydroxy-3-(isopropylamino)propoxy)butyranilide"

Source: Acebutolol is used to lower blood pressure, lower heart rate, and reduce angina (chest pain).

Identifiers:

IUPAC Name: N-[3-acetyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]butanamide
CAS Number: 37517-30-9
PubChem ID: 1978
InChiKey: GOEMGAFJFRBGGG-UHFFFAOYSA-N
Canonical SMILES: CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C

Structural Properties:

Molecular Formula: C₁₈H₂₈N₂O₄
Molecular Weight: 336,400

Pharmacophore Features:

Number of bond donors: 3
Number of bond acceptors: 5
Number of atoms different from hydrogen: 24

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2D structure (.sdf)
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Evidence Supporting This Chemical as an Emerging Contaminant

Deblonde, T., Cossu-Leguille, C., & Hartemann, P. (2011). Emerging pollutants in wastewater: a review of the literature. International journal of hygiene and environmental health, 214(6), 442-448.

External Links

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2D-structure

3D-structure