Products 205446-21-5

CAS 205446-21-5 appears in our catalog under these names: Benzoyl Ecgonine-d8, Benzoylecgonine-D8, Benzoylecgonine-D8 0.1 mg/ml in Methanol, Benzoylecgonine-D8 1.0 mg/ml in Methanol, Benzoylecgonine-D8, 0.1mg/ml in Methanol. Offered by: TRC, Lipomed, LoGiCal. Available pack sizes: 100mg, 50mg, 10mg, 1ml.

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

(1R,2R,3S,5S)-3-(2,3,4,5,6-pentadeuteriobenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid (CAS 205446-21-5) is a chemical compound with the molecular formula C16H19NO4 and a molecular weight of 297.37 g/mol. IUPAC name: (1R,2R,3S,5S)-3-(2,3,4,5,6-pentadeuteriobenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid. InChIKey: GVGYEFKIHJTNQZ-NZWMRTFUSA-N.

Identity
Molecular formulaC16H19NO4
Molecular weight297.37 g/mol
IUPAC name(1R,2R,3S,5S)-3-(2,3,4,5,6-pentadeuteriobenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid
InChIKeyGVGYEFKIHJTNQZ-NZWMRTFUSA-N
SMILES[2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)O)N3C([2H])([2H])[2H])[2H])[2H]

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