Candesartan

Synonyms: candesartan, "Blopress", "Ratacand", "1-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylic acid", "2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid", "2-Ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid", "2-ethoxy-3-[[4-[2-(1h-tetrazol-5-yl)phenyl]phenyl]methyl]-3h-benzoimidazole-4-carboxylic acid".

Source: Candesartan is used to treat hypertension and prevents the constriction (narrowing) of blood vessels, including veins and arteries.

Identifiers:

IUPAC Name: 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
CAS Number: 139481-59-7
PubChem ID: 2541
InChiKey: HTQMVQVXFRQIKW-UHFFFAOYSA-N
Canonical SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O

Structural Properties:

Molecular Formula: C₂₄H₂₀N₆O₃
Molecular Weight: 440.5

Pharmacophore Features:

Number of bond donors: 2
Number of bond acceptors: 7
Number of atoms different from hydrogen: 33

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Evidence Supporting This Chemical as an Emerging Contaminant

Hermes, N., Jewell, K., Wick, A., & Ternes, T. (2018). Quantification of more than 150 micropollutants including transformation products in aqueous samples by liquid chromatography-tandem mass spectrometry using scheduled multiple reaction monitoring. Journal of Chromatography A, 1531, 64?73.

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2D-structure

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