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Product Overview

Product Code

TRC-I140032

Product Format

Neat

Molecular Formula

C19 D3 H23 O8

Molecular Weight

385.42

API Family

Ibuprofen

Product Categories

Non-steroidal anti-inflammatory drugs (NSAIDs), TRC, Non-steroidal anti-inflammatory drugs (NSAIDs), Non-steroidal anti-inflammatory drugs (NSAIDs), Analgesics, Stable isotopes, Stable Isotope Labelled Analytical Standards, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Impurity, API

Unlabelled CAS Number

115075-59-7

Documentation

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Product Information

Chemical Data

Analyte Name

Ibuprofen-d3 Acyl-beta-D-glucuronide (mixture of diastereomers)

Molecular Formula

C19 D3 H23 O8

Molecular Weight

385.42

Accurate Mass

385.1816

SMILES

[2H]C([2H])([2H])C(C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(=O)O)c2ccc(CC(C)C)cc2

InChI

InChI=1S/C19H26O8/c1-9(2)8-11-4-6-12(7-5-11)10(3)18(25)27-19-15(22)13(20)14(21)16(26-19)17(23)24/h4-7,9-10,13-16,19-22H,8H2,1-3H3,(H,23,24)/t10?,13-,14-,15+,16-,19-/m0/s1/i3D3

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[3,3,3-trideuterio-2-(4-isobutylphenyl)propanoyl]oxy-tetrahydropyran-2-carboxylic acid

Unlabelled CAS Number

115075-59-7

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

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Product Overview

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Chemical Data

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Ibuprofen-d3 Acyl-Beta-D-glucuronide (mixture of diastereomers)

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