Cas no 1173020-03-5 (Metronidazole-13C2,15N2)

Metronidazole-13C2,15N2 is a stable isotope-labeled analog of metronidazole, where two carbon atoms (13C) and two nitrogen atoms (15N) replace their natural isotopes. This compound is primarily used as an internal standard in quantitative mass spectrometry applications, ensuring high accuracy and precision in pharmacokinetic, metabolic, and bioavailability studies. The isotopic labeling minimizes interference with the analyte, enhancing method specificity and sensitivity. Its chemical stability and well-characterized properties make it suitable for use in LC-MS/MS and other advanced analytical techniques. The product is synthesized under stringent quality controls to guarantee isotopic purity and consistent performance in research and regulatory applications.
Metronidazole-13C2,15N2 structure
Metronidazole-13C2,15N2 structure
Product Name:Metronidazole-13C2,15N2
CAS No:1173020-03-5
MF:C6H9N3O3
MW:175.126088857651
MDL:MFCD16652531
CID:1072915
PubChem ID:329754312
Update Time:2025-10-28

Metronidazole-13C2,15N2 Chemical and Physical Properties

Names and Identifiers

    • Metronidazole-13C2,15N2
    • 2-(Methyl-13C)-5-nitro(imidazole-2-13C-1,3-15N2)-1-ethanol
    • 2-(2-(113C)Methyl-5-nitro(213C,1,3-15N2)imidazol-1-yl)ethanol
    • HY-B0318S
    • 2-[2-(~13~C)Methyl-5-nitro(2-~13~C,~15~N_2_)-1H-imidazol-1-yl]ethan-1-ol
    • Metronidazole-13C2,15N2, VETRANAL(TM), analytical standard
    • 1173020-03-5
    • 1ST5555-100A
    • DTXSID90678717
    • Metronidazole 13C2,15N2 100 microg/mL in Acetonitrile
    • 1-(2-Hydroxyethyl)-2-methyl-13C-5-nitroimidazole-2-13C,3-15N2
    • Metronidazole 13C2,15N2
    • Metronidazole-13C2,15N2 Solution in Acetonitrile, 100ug/mL
    • CS-0129598
    • MDL: MFCD16652531
    • Inchi: 1S/C6H9N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,10H,2-3H2,1H3/i1+1,5+1,7+1,8+1
    • InChI Key: VAOCPAMSLUNLGC-PNSZSYODSA-N
    • SMILES: OCC[15N]1C(=C[15N]=[13C]1[13CH3])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 175.06517062g/mol
  • Monoisotopic Mass: 175.06517062g/mol
  • Isotope Atom Count: 4
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0
  • Topological Polar Surface Area: 83.9

Metronidazole-13C2,15N2 Security Information

  • Symbol: GHS08
  • Signal Word:Warning
  • Hazard Statement: H351
  • Warning Statement: P281
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 40
  • Safety Instruction: 36/37
  • Hazardous Material Identification: Xn

Metronidazole-13C2,15N2 Pricemore >>

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Metronidazole-13C2,15N2 Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:1173020-03-5)Metronidazole-[13C2,15N2
Order Number:LE16387
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:14
Price ($):discuss personally

Additional information on Metronidazole-13C2,15N2

Comprehensive Guide to Metronidazole-13C2,15N2 (CAS No. 1173020-03-5): Applications, Stability, and Analytical Insights

In the realm of isotopic labeling and pharmaceutical research, Metronidazole-13C2,15N2 (CAS No. 1173020-03-5) stands out as a critical tool for advanced analytical studies. This stable isotope-labeled compound, derived from the widely used antibiotic Metronidazole, incorporates carbon-13 (13C) and nitrogen-15 (15N) isotopes at specific positions, enhancing its utility in mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Researchers and laboratories increasingly seek isotopically labeled standards like Metronidazole-13C2,15N2 to ensure precision in pharmacokinetic studies, drug metabolism research, and environmental monitoring.

The growing demand for stable isotope-labeled compounds aligns with trends in personalized medicine and traceability in pharmaceutical development. A common question in scientific forums is: "How does Metronidazole-13C2,15N2 improve quantification accuracy in LC-MS/MS?" The answer lies in its ability to serve as an internal standard, minimizing matrix effects and ion suppression. Unlike non-labeled Metronidazole, this variant exhibits nearly identical chemical properties while providing distinct mass spectral signatures, enabling reliable detection even in complex biological matrices like plasma or urine.

From a synthetic chemistry perspective, Metronidazole-13C2,15N2 (CAS 1173020-03-5) is synthesized through meticulous incorporation of 13C and 15N isotopes during key reaction steps. This process ensures high isotopic enrichment (>98%) and chemical purity, meeting stringent requirements for Good Laboratory Practice (GLP) and FDA submissions. Recent publications highlight its role in elucidating the metabolic pathways of nitroimidazole antibiotics, addressing concerns about microbial resistance—a hot topic in infectious disease research.

Stability is another focal point for users. Proper storage of Metronidazole-13C2,15N2—typically at -20°C in amber vials—preserves its integrity for years. Analytical chemists frequently search for "degradation products of isotope-labeled Metronidazole", underscoring the need for rigorous quality control. Accelerated stability studies confirm that the compound remains stable under recommended conditions, with no significant degradation observed even after 24 months.

Beyond research, regulatory agencies emphasize traceability in drug development. The unique CAS registry number (1173020-03-5) for Metronidazole-13C2,15N2 facilitates unambiguous identification in global databases. This aligns with ISO guidelines for chemical identification, a recurring theme in compliance-driven industries. As LC-MS/MS becomes mainstream in clinical labs, the compound’s utility extends to therapeutic drug monitoring (TDM), particularly for patients receiving high-dose Metronidazole regimens.

Environmental scientists also leverage Metronidazole-13C2,15N2 to track pharmaceutical residues in wastewater. With increasing scrutiny on antibiotic pollution, this labeled analog helps distinguish parent compounds from transformation products in environmental samples. A 2023 study demonstrated its effectiveness in quantifying sub-ppb levels of Metronidazole in aquatic systems, addressing ecological concerns tied to antimicrobial resistance (AMR).

In summary, Metronidazole-13C2,15N2 (CAS 1173020-03-5) exemplifies the intersection of isotopic chemistry and modern analytics. Its applications span drug development, environmental science, and clinical diagnostics—all areas where precision and reliability are paramount. As research evolves, this compound will remain indispensable for scientists tackling challenges like AMR and personalized therapeutics.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:1173020-03-5)Metronidazole-[13C2,15N2
LE16387
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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