Products 115732-68-8

CAS 115732-68-8 appears in our catalog under these names: Benzoyl Ecgonine-d3, >95% (HPLC), Benzoylecgonine-D3 0.1 mg/ml in Methanol, Benzoylecgonine-D3 1.0 mg/ml in Methanol. Offered by: TRC, LoGiCal. Available pack sizes: 10mg, 1mg, 1ml.

Structural formula: {0} (CAS {1})

(1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid (CAS 115732-68-8) is a chemical compound with the molecular formula C16H19NO4 and a molecular weight of 292.34 g/mol. IUPAC name: (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid. InChIKey: GVGYEFKIHJTNQZ-GZBWLTEMSA-N.

Identity
Molecular formulaC16H19NO4
Molecular weight292.34 g/mol
IUPAC name(1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid
InChIKeyGVGYEFKIHJTNQZ-GZBWLTEMSA-N
SMILES[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3)C(=O)O

Computed by PubChem (NCBI)