Benzoylecgonine
Chemical compound / From Wikipedia, the free encyclopedia
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Benzoylecgonine is the main metabolite of cocaine, formed by the liver and excreted in the urine. It is the compound tested for in most cocaine urine drug screens and in wastewater screenings for cocaine use.
Quick Facts Names, Identifiers ...
Names | |
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IUPAC name
3β-(Benzoyloxy)tropane-2β-carboxylic acid | |
Systematic IUPAC name
(1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid | |
Identifiers | |
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3D model (JSmol) |
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89637 | |
ChEBI | |
ChemSpider |
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DrugBank |
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ECHA InfoCard | 100.007.513 |
EC Number |
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KEGG |
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PubChem CID |
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UNII | |
CompTox Dashboard (EPA) |
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Properties | |
C16H19NO4 | |
Molar mass | 289.331 g·mol−1 |
Hazards | |
GHS labelling: | |
Danger | |
H301 | |
P264, P270, P301+P310, P321, P330, P405, P501 | |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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