Products 136765-30-5

CAS 136765-30-5 appears in our catalog under these names: Cocaethylene-d3, Cocaethylene-D3 (Benzoylethylecgonine-D3) 0.1 mg/ml in Acetonitrile, Cocaethylene-D3, 0.1mg/ml in Acetonitrile, Cocaethylene-D3, 1mg/ml in Acetonitrile. Offered by: TRC, Lipomed, LoGiCal. Available pack sizes: 25mg, 50mg, 100mg, 10mg, 1ml.

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

Ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate (CAS 136765-30-5) is a chemical compound with the molecular formula C18H23NO4 and a molecular weight of 320.4 g/mol. IUPAC name: ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate. InChIKey: NMPOSNRHZIWLLL-UUFWDTOESA-N.

Identity
Molecular formulaC18H23NO4
Molecular weight320.4 g/mol
IUPAC nameethyl (1R,2R,3S,5S)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylate
InChIKeyNMPOSNRHZIWLLL-UUFWDTOESA-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)OCC

Computed by PubChem (NCBI)