Cocaine N-Methyl-d3 (1mg/ml in Acetonitrile)

Analyte Name

Cocaine-D3

CAS Number

138704-14-0

Molecular Formula

C17 2H3 H18 N O4

Molecular Weight

306.37

Measured Value

1 mg/mL

Accurate Mass

306.1659

SMILES

[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OC

InChI

InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1/i1D3

IUPAC

methyl (1S,3S,4R,5R)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Acetonitrile