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Product Overview

Product Code

TRC-B207982

Product Format

Neat

Molecular Formula

C17 D3 H13 N2 O5

Molecular Weight

331.338

Product Categories

TRC, Anti-HIV agents, Stable isotopes

Product Type

Stable Isotope Labelled

Unlabelled CAS Number

70838-44-7

Product Information

Chemical Data

Analyte Name

5'-O-Benzoyl-2,3'-anhydrothymidine-d3

Molecular Formula

C17 D3 H13 N2 O5

Molecular Weight

331.338

Accurate Mass

331.125

SMILES

[2H]C([2H])([2H])C1=CN2[C@H]3C[C@@H](OC2=NC1=O)[C@@H](COC(=O)c4ccccc4)O3

InChI

InChI=1S/C17H16N2O5/c1-10-8-19-14-7-12(24-17(19)18-15(10)20)13(23-14)9-22-16(21)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3/t12-,13-,14-/m1/s1/i1D3

IUPAC

[(1R,9R,10R)-5-oxo-4-(trideuteriomethyl)-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-10-yl]methyl benzoate

Unlabelled CAS Number

70838-44-7

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 anti-HIV pharmaceuticals

References: Naimi, E., et al.: J. Med. Chem., 46, 995 (2003),

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5'-O-Benzoyl-2,3'-anhydrothymidine-d3

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