Propranolol

Synonyms: propranolol, "Propanolol", "beta-Propranolol", "Avlocardyl", "Dociton", "Euprovasin", "Anapriline", "Betalong", "Propanalol", "Proprasylyt", "Reducor", "Propanix", "Inderal", "propranololo", "Corpendol", "Betadren", "Sumial", "Sawatal", "Racemic propranolol", "Propranololum", "D,L-Propranolol", "Obsidan", "(+-)-Propranolol", "Propranololo [DCIT]", "Propranalol", "Bedranol".

Source: Propranolol is a nonselective ??blocker that is primarily used to treat hypertension.

Identifiers:

IUPAC Name: 1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CAS Number: 525-66-6
PubChem ID: 4946
InChiKey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
Canonical SMILES: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O

Structural Properties:

Molecular Formula: C₁₆H₂₁NO₂
Molecular Weight: 259,339

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 3
Number of atoms different from hydrogen: 19

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Evidence Supporting This Chemical as an Emerging Contaminant

Osorio, V., Schriks, M., Vughs, D., de Voogt, P., Kolkman, A. (2018). A novel sample preparation procedure for effect-directed analysis of micro-contaminants of emerging concern in surface waters. Talanta 186, 527?537.

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2D-structure

3D-structure