Product Code

TRC-I400159

CAS Number

1219805-09-0

Product Format

Neat

Molecular Formula

C13 D3 H14 O2 . Na

Molecular Weight

231.2811

Product Categories

Stable Isotope Labelled Analytical Standards, Analgesics, TRC

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

31121-93-4

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Ibuprofen-D3 (alpha-methyl-D3) Sodium

CAS Number

1219805-09-0

Molecular Formula

C13 D3 H14 O2 . Na

Molecular Weight

231.2811

Accurate Mass

231.1315

SMILES

[Na+].[2H]C([2H])([2H])C(C(=O)[O-])c1ccc(CC(C)C)cc1

InChI

InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1/i3D3;

IUPAC

sodium;3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoate

Unlabelled CAS Number

31121-93-4

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

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(±)-Ibuprofen-d3, Sodium Salt (Alpha-methyl-d3)

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