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Product Overview

Product Code

TRC-H948845

CAS Number

103876-98-8

Product Format

Neat

Molecular Formula

C16H17N3O2S

Molecular Weight

315.39

API Family

Omeprazole

Product Categories

Additional pharmaceutical toxicology reference materials, Additional pharmaceutical toxicology reference materials, TRC, Impurity Reference Materials , Additional pharmaceutical toxicology research materials

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

4-Hydroxy Omeprazole Sulfide

CAS Number

103876-98-8

Molecular Formula

C16H17N3O2S

Molecular Weight

315.39

Accurate Mass

315.1041

Flash Point

-20

SMILES

COc1ccc2[nH]c(SCc3ncc(C)c(O)c3C)nc2c1

InChI

InChI=1S/C16H17N3O2S/c1-9-7-17-14(10(2)15(9)20)8-22-16-18-12-5-4-11(21-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)

IUPAC

2-[(5-methoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-3,5-dimethylpyridin-4-ol

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Omeprazole

Product Description

An intermediate in the preparation of Omeprazole metabolites.

References: Hoffmann, K., et al.: Drug Metab. Disposition, 14, 341 (1986), Andersson, T., et al.: Brit. J. Clin. Pharmacol., 36, 521 (1993),

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