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Product Overview

Product Code

TRC-C379512

CAS Number

1217114-23-2

Product Format

Neat

Molecular Formula

C11H4D6ClN

Molecular Weight

197.69

Product Categories

TRC, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

28049-61-8

Product Information

Chemical Data

Analyte Name

1-(4-Chlorophenyl)cyclobutane-d6 Carbonitrile

CAS Number

1217114-23-2

Molecular Formula

C11H4D6ClN

Molecular Weight

197.69

SMILES

[2H]C1([2H])C([2H])([2H])C(C#N)(c2ccc(Cl)cc2)C1([2H])[2H]

InChI

InChI=1S/C11H10ClN/c12-10-4-2-9(3-5-10)11(8-13)6-1-7-11/h2-5H,1,6-7H2/i1D2,6D2,7D2

IUPAC

1-(4-chlorophenyl)-2,2,3,3,4,4-hexadeuteriocyclobutane-1-carbonitrile

Unlabelled CAS Number

28049-61-8

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

An intermediate in the preparation of labelled Sibutramine and respective metabolites

References: Radhakrishna, T., et al.: J. Pharm. Biomed. Anal., 22, 627 (2000), Taubmann, C., et al.: Macromol. Biosci., 5, 603

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