Ecgonidine Methyl Ester-d3

CAS: 259526-67-5

Ref. TR-E325302

Product Information

• Name: Ecgonidine Methyl Ester-d3
• Synonyms: (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylic Acid Methyl Ester-d3, (-)-Anhydroecgonine Methyl Ester-d3, (R)-(-)-Anhydroecgonine Methyl Ester-d3, Anhydroecgonine Methyl Ester-d3, EDME-d3, Methyl Ecgonidine-d3
• Brand: TRC
• Description: Applications Isotope labelled metabolite of Cocaine. It is a pyrolysis product formed when crack cocaine is smoked, making this substance a useful biomarker to specifically test for use of crack cocaine, as opposed to powder cocaine which does not form methylecgonidine as a metabolite.References Casale, J., et al.: J. Pharm. Sci., 83, 1186 (1994), Koren, G., et al.: J. Clin. Pharmacol., 32, 671 (1992), Mieczkowski, T., et al.: Forensic. Sci. Int., 84, 87 (1997), Schaffer, M., et al.: J. Anal. Toxicol., 26, 485 (2002),

Chemical properties

• Molecular weight: 184.25
• Formula: C₁₀D₃H₁₂NO₂
• Color/Form: Neat
• InChI: InChI=1S/C10H15NO2/c1-11-7-3-5-8(10(12)13-2)9(11)6-4-7/h5,7,9H,3-4,6H2,1-2H3/t7-,9-/m1/s1/i2D3
• InChI key: InChIKey=MPSNEAHFGOEKBI-CWYCHJBSSA-N
• SMILES: [2H]C([2H])([2H])OC(=O)C1=CC[C@@H]2CC[C@H]1N2C