CAS 519-09-5
:Benzoylecgonine
Description:
Benzoylecgonine is a significant metabolite of cocaine, primarily formed in the body after cocaine is consumed. It is a white crystalline powder that is soluble in water and organic solvents, which facilitates its detection in biological samples. The chemical structure of benzoylecgonine features a benzoyl group attached to the ecgonine backbone, reflecting its derivation from cocaine. It is often used in forensic toxicology as a biomarker for cocaine use, as it can be detected in urine for several days after cocaine consumption. Benzoylecgonine has a relatively long half-life compared to cocaine, making it a reliable indicator of past use. In terms of safety, it is classified as a controlled substance in many jurisdictions due to its association with cocaine use. While it does not exhibit the same psychoactive effects as cocaine, its presence in biological samples is crucial for drug testing and legal investigations. Overall, benzoylecgonine serves as an important compound in both clinical and forensic settings.
Formula:C16H19NO4
InChI: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
InChI key:InChIKey=GVGYEFKIHJTNQZ-RFQIPJPRSA-N
SMILES:C(O)(=O)[C@@H]1[C@@]2(N(C)[C@](C[C@@H]1OC(=O)C3=CC=CC=C3)(CC2)[H])[H]
Synonyms:- (-)-Benzoylecgonine
- (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
- (2R,3S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
- 1α<span class="text-smallcaps">H</smallcap>,5α<smallcap>H</span>-Tropane-2β-carboxylic acid, 3β-hydroxy-, benzoate (ester)
- 1αH,5αH-Tropane-2β-carboxylic acid, 3β-hydroxy-, benzoate (ester)
- 3-(Benzoyloxy)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylic Acid
- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, (1R,2R,3S,5S)-
- 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, [1R-(exo,exo)]-
- Benzoylecgonine Methanol Solution
- Ecgonine, benzoate
- O-Benzoyl-(-)-ecgonine
- O-Benzoylecgonin
- O-benzoilecgonina
- See more synonyms
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Found 11 products.
Benzoylecgonine 1.0 mg/ml in Methanol
CAS:Controlled ProductFormula:C16 H19 N O4Molecular weight:289.33Benzoyl Ecgonine
CAS:Controlled Product<p>Applications A metabolite of Cocaine. Controlled substance.<br> Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package<br>References Wolff, K., et al.: Addiction, 94, 1279 (1999), Schaffer, M., et al.: J. Anal. Toxicol., 29, 319 (2005), Cognard, E., et al.: J. Pharm. Biomed. Anal., 41, 925(2006),<br></p>Formula:C16H19NO4Color and Shape:NeatMolecular weight:289.33Benzoyl Ecgonine (100μg/ml in Methanol)
CAS:Controlled ProductFormula:C16H19NO4Color and Shape:Single SolutionMolecular weight:289.33Benzoyl Ecgonine (1.0 mg/mL in Methanol)
CAS:Controlled ProductFormula:C16H19NO4Color and Shape:Single SolutionMolecular weight:289.33
