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Product Overview

Product Code

TRC-H830270

CAS Number

253688-60-7

Product Format

Neat

Molecular Formula

C27 H29 N5 O7 S

Molecular Weight

567.61

API Family

Bosentan, Bosentan

Product Categories

TRC, Enzyme inhibitors, Impurity Reference Materials , Cardiac drugs and beta blockers

Product Type

Impurity, Metabolite

Documentation

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Product Information

Chemical Data

Analyte Name

Hydroxy Bosentan

CAS Number

253688-60-7

Molecular Formula

C27 H29 N5 O7 S

Molecular Weight

567.61

Accurate Mass

567.1788

SMILES

COc1ccccc1Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)CO)nc(nc2OCCO)c4ncccn4

InChI

InChI=1S/C27H29N5O7S/c1-27(2,17-34)18-9-11-19(12-10-18)40(35,36)32-23-22(39-21-8-5-4-7-20(21)37-3)26(38-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)

IUPAC

N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Bosentan; Bosentan

Product Description

The active metabolite of Bosentan, a mixed endothelin receptor antagonist which is used as a vasodilator.

References: Clozel, M., et al.: J. Pharmacol. Exp. Ther., 270, 228 (1994), Gutsch, G., et al.: Cardiovasc. Drugs Ther., 10, 717 (1996), Weber, C., et al.: Clin Pharmacol. Ther., 60, 124 (1996), Krum, H., et al.: N. Engl. J. Med., 338, 784 (1998)

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