| Identification | Back Directory | [Name]
O-Desmethyl Metoprolol | [CAS]
62572-94-5 | [Synonyms]
H 105/22
SL 80-008
SL 80-0088
O-demethylmetoprolo
O-Desmethyl Metoprolol
(-O-Demethylmetoprolol
Metoprolol EP IMpurity H
Metoprolol Tartrate EP IMpurity-H
4-[2-Hydroxy-3-[(1-methylethyl)amino]propoxy]-benzeneethanol
(-4-[2-Hydroxy-3-(isopropylamino)propoxy]phenylethyl Alcohol | [Molecular Formula]
C14H23NO3 | [MDL Number]
MFCD01657298 | [MOL File]
62572-94-5.mol | [Molecular Weight]
253.34 |
| Chemical Properties | Back Directory | [Appearance]
Off-White Solid | [Melting point ]
70-720C | [Boiling point ]
424.6±40.0 °C(Predicted) | [density ]
1.085±0.06 g/cm3(Predicted) | [storage temp. ]
-20°C Freezer | [solubility ]
Chloroform (Slightly, Sonicated), Methanol (Slightly) | [form ]
Solid | [pka]
13.88±0.20(Predicted) | [color ]
White to Off-White | [Major Application]
pharmaceutical small molecule | [InChI]
InChI=1S/C14H23NO3/c1-11(2)15-9-13(17)10-18-14-5-3-12(4-6-14)7-8-16/h3-6,11,13,15-17H,7-10H2,1-2H3 | [InChIKey]
CUKXSBOAIJILRY-UHFFFAOYSA-N | [SMILES]
C1(CCO)=CC=C(OCC(O)CNC(C)C)C=C1 |
| Hazard Information | Back Directory | [Chemical Properties]
Off-White Solid | [Uses]
A metabolite of Metoprolol | [Description]
O-Desmethyl metoprolol is the major active metabolite of the β1-adrenergic receptor blocker metoprolol (Item No. 15429).1 It is formed by metabolism of metoprolol by the cytochrome P450 (CYP) isoform CYP2D6 in vivo.2 | [References]
[1] PAULA MACEDO CERQUEIRA. Stereoselective metabolism of metoprolol: Enantioselectivity of α-hydroxymetoprolol in plasma and urine[J]. Chirality, 2003, 15 6: 542-549. DOI: 10.1002/chir.10244
[2] ANGELA SEERINGER. Enantiospecific pharmacokinetics of metoprolol in CYP2D6 ultra-rapid metabolizers and correlation with exercise-induced heart rate.[J]. European Journal of Clinical Pharmacology, 2008, 64 9: 883-888. DOI: 10.1007/s00228-008-0504-8
[3] SOO HYEON BAE. Simultaneous determination of metoprolol and its metabolites, α-hydroxymetoprolol and O-desmethylmetoprolol, in human plasma by liquid chromatography with tandem mass spectrometry: Application to the pharmacokinetics of metoprolol associated with CYP2D6 genotypes[J]. Journal of separation science, 2014, 37 11: 1256-1264. DOI: 10.1002/jssc.201301353 |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Aquatic Chronic 2
Repr. 2 | [Toxicity]
LD50 intravenous in dog: 150mg/kg |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
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