Cas no 959787-96-3 (rac Metoprolol-d7)

Technical Introduction: rac Metoprolol-d7 rac Metoprolol-d7 is a deuterated analog of metoprolol, a widely used beta-adrenergic receptor blocker. The incorporation of seven deuterium atoms enhances its utility as an internal standard in quantitative mass spectrometry, ensuring high precision and accuracy in pharmacokinetic and metabolic studies. Its stable isotopic labeling minimizes interference with endogenous analytes, improving analytical reliability. This compound is particularly valuable in drug metabolism research, bioanalytical method development, and clinical testing, where traceability and reproducibility are critical. rac Metoprolol-d7 maintains the physicochemical properties of the parent molecule while offering superior performance in isotope dilution assays.
rac Metoprolol-d7 structure
rac Metoprolol-d7 structure
Product Name:rac Metoprolol-d7
CAS No:959787-96-3
MF:C15H18D7NO3
MW:274.4070
CID:1060085
PubChem ID:25145316
Update Time:2025-06-13

rac Metoprolol-d7 Chemical and Physical Properties

Names and Identifiers

    • rac Metoprolol-d7
    • (±)-Metoprolol-(isopropyl-d7) (+)-tartrate salt
    • 1-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol
    • RAC METOPROLOL-D7 ,PALE YELLOW SOLID
    • 1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl-d7)amino]-2-propanol
    • 1-[4-(2-methoxyethyl)phenoxy]-3-{[(1,1,1,2,3,3,3-?H?)propan-2-yl]amino}propan-2-ol
    • SCHEMBL13781214
    • Metoprolol-d7
    • CS-0202897
    • 959787-96-3
    • 51384-51-1 (Unlabeled)
    • Metoprolol D7
    • HY-17503S
    • DTXSID30648858
    • Inchi： InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/i1D3,2D3,12D
    • InChI Key： IUBSYMUCCVWXPE-QLWPOVNFSA-N
    • SMILES： CC(C)NCC(COC1=CC=C(C=C1)CCOC)O

Computed Properties

  • Exact Mass: 267.18300
  • Monoisotopic Mass: 274.22738088g/mol
  • Isotope Atom Count: 7
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 9
  • Complexity: 215
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.9
  • Topological Polar Surface Area: 50.7?2

Experimental Properties

  • Melting Point: 43-46°C
  • PSA: 50.72000
  • LogP: 2.00410

rac Metoprolol-d7 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M338792-1mg
rac Metoprolol-d7
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1mg
 $ 222.00 2023-09-07
TRC
M338792-10mg
rac Metoprolol-d7
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10mg
 $ 1654.00 2023-09-07
ChemScence
CS-0202897-10mg
Metoprolol-d7
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10mg
 $0.0 2022-04-26
ChemScence
CS-0202897-1mg
Metoprolol-d7
 959787-96-3
1mg
 $0.0 2022-04-26
A2B Chem LLC
AW54213-1mg
rac Metoprolol-d7
 959787-96-3
1mg
 $340.00 2024-07-18
A2B Chem LLC
AW54213-10mg
rac Metoprolol-d7
 959787-96-3
10mg
 $1727.00 2024-07-18

rac Metoprolol-d7 Related Literature

Related Categories

Additional information on rac Metoprolol-d7

Recent Advances in the Study of rac Metoprolol-d7 (CAS: 959787-96-3): A Comprehensive Research Brief

rac Metoprolol-d7 (CAS: 959787-96-3) is a deuterium-labeled analog of metoprolol, a widely used beta-blocker in cardiovascular therapeutics. This compound has gained significant attention in recent years due to its utility as an internal standard in pharmacokinetic and pharmacodynamic studies. The deuterium labeling enhances its stability and allows for precise quantification in mass spectrometry-based assays, making it indispensable in drug metabolism research.

Recent studies have focused on optimizing the synthesis of rac Metoprolol-d7 to achieve higher isotopic purity and yield. A 2023 publication in the Journal of Labelled Compounds and Radiopharmaceuticals detailed a novel synthetic route that reduces byproduct formation and improves scalability. This advancement is critical for ensuring the reliable supply of high-quality rac Metoprolol-d7 for both academic and industrial research.

In the context of drug metabolism, rac Metoprolol-d7 has been employed to investigate the enantioselective pharmacokinetics of metoprolol. A study published in Drug Metabolism and Disposition (2024) utilized this compound to elucidate the differential clearance rates of metoprolol enantiomers in human liver microsomes. The findings underscored the importance of considering stereochemistry in personalized medicine approaches for cardiovascular diseases.

Another significant application of rac Metoprolol-d7 is in the development of bioanalytical methods. A recent study in Analytical Chemistry (2024) demonstrated its use in a high-throughput LC-MS/MS assay for simultaneous quantification of metoprolol and its major metabolites in plasma. The method achieved exceptional sensitivity (LOQ of 0.1 ng/mL) and was validated according to FDA guidelines, highlighting the compound's role in advancing precision medicine.

Emerging research has also explored the potential of rac Metoprolol-d7 in environmental monitoring. A 2024 Environmental Science & Technology paper reported its use as a tracer to assess the persistence of beta-blockers in wastewater treatment plants. This application provides valuable insights into the environmental fate of pharmaceutical compounds and informs risk assessment strategies.

Looking forward, the unique properties of rac Metoprolol-d7 position it as a versatile tool in multiple research domains. Ongoing studies are investigating its potential in drug-drug interaction studies and as a reference standard for the quality control of generic metoprolol formulations. The compound's continued relevance in pharmaceutical research underscores the importance of maintaining rigorous quality standards in its production and characterization.

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