5-Methylcotinine D3

Product Name 5-Methylcotinine D3
CAT No. CS-T-58053
CAS No. 1217003-12-7
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Smileys O=C1N(C(CC1)C2=CN=CC(C)=C2)C([2H])([2H])[2H]
Canonical Smiles CC1=CC(=CN=C1)C2CCC(=O)N2C
InchIKey WHWUCUXJDGPSSV-BMSJAHLVSA-N
Inchl InChI=1S/C11H14N2O/c1-8-5-9(7-12-6-8)10-3-4-11(14)13(10)2/h5-7,10H,3-4H2,1-2H3/i2D3
IUPAC 5-(5-methylpyridin-3-yl)-1-(trideuteriomethyl)pyrrolidin-2-one
Controlled No
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5-Methylcotinine D3 is a deuterated form of 5-Methylcotinine, which is a metabolite of nicotine found in human urine. This compound is commonly used as an internal standard in nicotine and cotinine quantification studies using mass spectrometry techniques. The deuterated form is particularly useful because it can be distinguished from the non-deuterated compound during mass spectrometry analysis, leading to improved accuracy and precision of results. Chemically, 5-Methylcotinine D3 has a molecular weight of 209.3 g/mol and a chemical formula of C11H12D3N2O. It is a colorless to pale yellow liquid that is soluble in water and other polar solvents. The compound is stable under normal laboratory conditions and can be stored for several months without significant degradation. In addition to its use as an internal standard, 5-Methylcotinine D3 can also be used for pharmacokinetic studies of nicotine and cotinine metabolism in humans. It can help researchers better understand the metabolic pathways and clearance rates of these compounds, which can be useful for developing new smoking cessation therapies and for understanding the health effects of nicotine exposure. Overall, 5-Methylcotinine D3 is an important tool for nicotine and cotinine quantification and metabolic studies, providing researchers with a reliable standard for accurate and precise mass spectrometry analysis.

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