Pentobarbital Sodium Salt (1.0 mg/mL in Methanol)

Analyte Name

Pentobarbital Sodium

CAS Number

57-33-0

Molecular Formula

C11 H17 N2 O3 . Na

Molecular Weight

248.25

Measured Value

1.0 mg/mL

Accurate Mass

248.1137

SMILES

[Na+].CCCC(C)C1(CC)C(=O)NC(=NC1=O)[O-]

InChI

InChI=1S/C11H18N2O3.Na/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);/q;+1/p-1

IUPAC

sodium;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate

Alternate CAS Number

Free acid: 76-74-4

Country of Origin

CANADA

Product Format

Single Solution

Matrix

Methanol