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Product Overview

Product Code

TRC-I140002

CAS Number

121662-14-4

Product Format

Neat

Molecular Formula

C13 2H3 H15 O2

Molecular Weight

209.30

API Family

Ibuprofen

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

15687-27-1

Purity

>95% (HPLC)

Drug Type

NSAIDs

Documentation

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Product Information

Chemical Data

Analyte Name

Ibuprofen-D3

CAS Number

121662-14-4

Molecular Formula

C13 2H3 H15 O2

Molecular Weight

209.30

Accurate Mass

209.1495

SMILES

[2H]C([2H])([2H])C(C(=O)O)c1ccc(CC(C)C)cc1

InChI

InChI=1S/C13H18O2/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)/i3D3

IUPAC

3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid

Unlabelled CAS Number

15687-27-1

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

API Family

Ibuprofen

Purity

>95% (HPLC)

Product Description

Labelled Ibuprofen, a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency.

References: Busson, M., et al.: J. Int. Med Res., 14, 53 (1986), Meade, E.A., et al.: J. Biol. Chem., 268, 6610 (1993), Davies, N.M., et al.: Clin. Pharmacokinet., 34, 101 (1998),

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