Products 253775-21-2

CAS 253775-21-2 is the registry number for meta-Hydroxybenzoylecgonine-D3. Offered by: TRC, Biosynth. Available pack sizes: 10mg, 1mg, 5mg, 25mg, 50mg.

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

(1R,2R,3S,5S)-3-(3-hydroxybenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid (CAS 253775-21-2) is a chemical compound with the molecular formula C16H19NO5 and a molecular weight of 308.34 g/mol. IUPAC name: (1R,2R,3S,5S)-3-(3-hydroxybenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid. InChIKey: XCJJCRPRQYXLRE-MFZOGSLBSA-N.

Identity
Molecular formulaC16H19NO5
Molecular weight308.34 g/mol
IUPAC name(1R,2R,3S,5S)-3-(3-hydroxybenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-2-carboxylic acid
InChIKeyXCJJCRPRQYXLRE-MFZOGSLBSA-N
SMILES[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC(=CC=C3)O)C(=O)O

Computed by PubChem (NCBI)