Product Code
LGCAMP1345.83-12
CAS Number
Product Format
Single Solution
Matrix
Acetonitrile
Molecular Formula
C18 2H3 H20 N O4
Molecular Weight
320.40
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Analyte Name
Cocaethylene-D3
CAS Number
136765-30-5
Molecular Formula
C18 2H3 H20 N O4
Molecular Weight
320.40
Accurate Mass
320.1815
Appearance/Form
Liquid
Flash Point
5
Color
Colourless
Odor
Ether-like
SMILES
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)OCC
InChI
InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1/i2D3
IUPAC
ethyl (1S,3S,4R,5R)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
SIL Type
Deuterium
Storage Temperature
+5°C
Shipping Temperature
Room Temperature
Country of Origin
GERMANY
Tariff Code
28459010
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Single Solution
Matrix
Acetonitrile
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