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Merck
CN

77947

4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetic acid

analytical standard

Synonym(s):

4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]benzeneacetic acid, Atenolol acid, Metoprolol acid

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About This Item

Empirical Formula (Hill Notation):
C14H21NO4
CAS Number:
Molecular Weight:
267.32
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
41116107
MDL number:
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InChI key

PUQIRTNPJRFRCZ-UHFFFAOYSA-N

SMILES string

CC(C)NCC(O)COc1ccc(CC(O)=O)cc1

InChI

1S/C14H21NO4/c1-10(2)15-8-12(16)9-19-13-5-3-11(4-6-13)7-14(17)18/h3-6,10,12,15-16H,7-9H2,1-2H3,(H,17,18)

grade

analytical standard

assay

≥97.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

forensics and toxicology
pharmaceutical (small molecule)

format

neat

storage temp.

2-8°C

Quality Level

General description

4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetic acid is a metabolite of the selective β-1 blocker drug metoprolol.

Application

4-(2-Hydroxy-3-isopropylaminopropoxy)phenylacetic acid may be used as an analytical standard for the determination of the analyte in environmental water samples, wastewater samples, and human and animal biological samples by various chromatography techniques.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable


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Screening hundreds of emerging organic pollutants (EOPs) in surface water from the Yangtze River Delta (YRD): occurrence, distribution, ecological risk
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Moschet C, et al.
Water Research, 71, 306-317 (2015)
Investigation of pharmaceuticals and their metabolites in Brazilian hospital wastewater by LC-QTOF MS screening combined with a preliminary exposure and in silico risk assessment
Becker RW, et al.
The Science of the Total Environment, 699, 134218-134218 (2020)
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Small Animal Clinical Pharmacology, 241, 484-493 (2011)
Determination of metoprolol, and its four metabolites in dog plasma
Fang J, et al.
Journal of Chromatography. B, Biomedical Applications, 809(1), 9-14 (2004)

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