(1R,2R,3S,5S)-3-(Benzoyloxy)-8-(Methyl-D3)-8-Azabicyclo[3.2.1]Octane-2-carboxylic Acid Ethyl Ester
[CAS# 136765-30-5]

Identification

• Name: (1R,2R,3S,5S)-3-(Benzoyloxy)-8-(Methyl-D3)-8-Azabicyclo[3.2.1]Octane-2-carboxylic Acid Ethyl Ester
• Synonyms: Cocaethylene-D3 (Benzoylecgonine Ethyl Ester-D3); Ecgonine-D3 Ethyl Ester Benzoate (Ester); COCAETHYLENE-D3,100/MLINACETONITRILE
• Molecular Formula: C₁₈H₂₀D₃NO₄
• Molecular Weight: 320.40
• CAS Registry Number: 136765-30-5
• SMILES: CCOC(=O)[C@@H]1[C@H]2CC[C@@](N2C)(C([C@]1([2H])O)([2H])C(=O)c1ccccc1)[2H]
• InChI: 1S/C18H23NO4/c1-3-23-18(22)15-13-10-9-12(19(13)2)14(17(15)21)16(20)11-7-5-4-6-8-11/h4-8,12-15,17,21H,3,9-10H2,1-2H3/t12-,13-,14?,15-,17+/m1/s1/i12D,14D,17D