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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:
56392-14-4
Molecular Weight:
267.32
NACRES:
NA.24
PubChem Substance ID:
329768040
UNSPSC Code:
41116107
MDL number:
MFCD00437442

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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

100

Related Categories

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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Certificates of Analysis (COA)

Lot/Batch Number
BCCM4511
BCCH7762
BCCC7158
BCBV8470

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The
Small Animal Clinical Pharmacology, 241, 484-493 (2011)
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)
Fate of pharmaceuticals and their transformation products in integrated membrane systems for wastewater reclamation
Mamo J, et al.
Chemical Engineering Journal, 331, 450-461 (2018)
Development and Validation of RP-HPLC and an Ecofriendly HPTLC Method for Simultaneous Determination of Felodipine and Metoprolol Succinate, and their Major Metabolites in Human Spiked Plasma
Emam AA, et al.
Journal of AOAC (Association of Official Analytical Chemists) International, 809(1), 9-14 (2020)
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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