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Product Overview

Product Code

TRC-T303617

CAS Number

1185098-75-2

Product Format

Neat

Molecular Formula

C15H6D12N2

Molecular Weight

238.39

Product Categories

Cancer Research Chemicals and Analytical Standards, Stable isotopes, TRC, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Alternate CAS Number

120511-72-0

Unlabelled CAS Number

120511-72-0

Documentation

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Product Information

Chemical Data

Analyte Name

alpha,alpha,alpha',alpha'-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12

CAS Number

1185098-75-2

Molecular Formula

C15H6D12N2

Molecular Weight

238.39

Accurate Mass

238.2223

SMILES

CC1=CC(C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])=CC(C(C#N)(C([2H])([2H])[2H])C([2H])([2H])[2H])=C1

InChI

InChI=1S/C15H18N2/c1-11-6-12(14(2,3)9-16)8-13(7-11)15(4,5)10-17/h6-8H,1-5H3/i2D3,3D3,4D3,5D3

Alternate CAS Number

120511-72-0

Unlabelled CAS Number

120511-72-0

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Product Description

A labelled intermediate in the synthesis of Anastrozole, an aromatase inhibitor. Used as an antineoplastic.

References: Jackson, T., et al.: Org. Biomolec. Chem., 5, 3368 (2007),

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Product Overview

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Chemical Data

Product Data

Product Description

Product citations

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Alpha,Alpha,Alpha',Alpha'-Tetramethyl-5-methyl-1,3-benzenediacetonitrile-d12

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