Analyte Name

Secobarbital-D5 (1-(methyl-D3)butyl-2,2-D2)

CAS Number

1219803-94-7

Molecular Formula

C12 D5 H13 N2 O3

Molecular Weight

243.314

Accurate Mass

243.163

SMILES

[2H]C([2H])([2H])C(C([2H])([2H])CC)C1(CC=C)C(=O)NC(=O)NC1=O

InChI

InChI=1S/C12H18N2O3/c1-4-6-8(3)12(7-5-2)9(15)13-11(17)14-10(12)16/h5,8H,2,4,6-7H2,1,3H3,(H2,13,14,15,16,17)/i3D3,6D2

IUPAC

5-(1,1,1,3,3-pentadeuteriopentan-2-yl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione

Unlabelled CAS Number

76-73-3

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat