Acamprosate-d12 Calcium

Analyte Name

Acamprosate-d12 Calcium (dipropyl-d12)

CAS Number

1225580-91-5

Molecular Formula

2 C5 D6 H4 N O4 S . Ca

Molecular Weight

412.556

Accurate Mass

412.104

SMILES

[Ca+2].[2H]C([2H])(NC(=O)C)C([2H])([2H])C([2H])([2H])S(=O)(=O)[O-].[2H]C([2H])(NC(=O)C)C([2H])([2H])C([2H])([2H])S(=O)(=O)[O-]

InChI

InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2/i2*2D2,3D2,4D2;

IUPAC

calcium;3-acetamido-1,1,2,2,3,3-hexadeuteriopropane-1-sulfonate

Unlabelled CAS Number

77337-73-6

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Acamprosate Calcium

Purity

>95% (HPLC)