Benzoylecgonin-D8 (0.1 mg/ml) in Methanol

Analyte Name

Benzoylecgonin-D8

CAS Number

205446-21-5

Molecular Formula

C16 2H8 H11 N O4

Molecular Weight

297.38

Accurate Mass

297.1816

Flash Point

-20

SMILES

[2H]c1c([2H])c([2H])c(C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)O)N3C([2H])([2H])[2H])c([2H])c1[2H]

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/i1D3,2D,3D,4D,5D,6D

IUPAC

(1S,3S,4R,5R)-3-(2,3,4,5,6-pentadeuteriobenzoyl)oxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

UNITED STATES

Tariff Code

28459010

Product Format

Single Solution

Matrix

Methanol