Cocaethylene (1mg/ml in Acetonitrile)

Cocaethylene (1mg/ml in Acetonitrile)

• Synonyms: Cocaethylene; Benzoylethylecgonine
• CAS Number: 529-38-4
• Hazard Statement: No Data Available
• Smiles: CCOC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3
• Molecular Formula: C18 H23 N O4
• Molecular Weight: 317.38
• InChI: InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
• Additionnal Information: IUPAC name: ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate