Benzoyl Ecgonine-d3

Analyte Name

Benzoylecgonine-D3

CAS Number

115732-68-8

Molecular Formula

C16 2H3 H16 N O4

Molecular Weight

292.34

Accurate Mass

292.1502

SMILES

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

InChI

InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1/i1D3

IUPAC

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

Unlabelled CAS Number

519-09-5

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Benzoyl Peroxide; Cocaine

Purity

>95% (HPLC)