Benzoylecgonine-13C6

Product Name Benzoylecgonine-13C6
CAT No. CS-CX-00681
CAS No. 519-09-5(Unlabeled)
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 NA
Canonical Smiles CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O
InchIKey GVGYEFKIHJTNQZ-RFQIPJPRSA-N
Inchl InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1
IUPAC (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
Controlled No
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Benzoylecgonine-13C6 is a stable isotope labeled derivative of Benzoylecgonine, which is a major metabolite of cocaine. This stable isotope labeled compound is widely used in clinical and forensic toxicology laboratories as a reference standard for the detection and quantification of cocaine abuse in biological samples, such as urine, blood, and hair. The main application of Benzoylecgonine-13C6 is in the field of drug testing and screening. It is used to calibrate and validate analytical instruments, such as mass spectrometers and gas chromatographs, to ensure the accuracy and reliability of the results obtained from the analysis of biological samples. Additionally, it is used as an internal standard to control for variations in sample preparation and analysis procedures. In terms of its chemical properties, Benzoylecgonine-13C6 is a white crystalline powder that is soluble in water and organic solvents. It has a molecular formula of C16H12D6NO4 and a molecular weight of 312.36 g/mol. It is a stable compound that can be stored for long periods of time without decomposition or degradation. Overall, Benzoylecgonine-13C6 is a valuable tool for the accurate and reliable detection of cocaine abuse in biological samples. Its stable isotope labeling provides a unique and identifiable signature that can be used to distinguish it from other compounds in the sample, which enhances the specificity and sensitivity of the analysis.

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