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Product Overview

Product Code

TRC-H830272

CAS Number

1065472-91-4

Product Format

Neat

Molecular Formula

C27 2H4 H25 N5 O7 S

Molecular Weight

571.64

API Family

Bosentan

Product Categories

TRC, Enzyme inhibitors, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Metabolite, Bioactive Small Molecule

Unlabelled CAS Number

253688-60-7

Documentation

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Product Information

Chemical Data

Analyte Name

hydroxy Bosentan-d4

CAS Number

1065472-91-4

Molecular Formula

C27 2H4 H25 N5 O7 S

Molecular Weight

571.64

Accurate Mass

571.2039

SMILES

[2H]C([2H])(O)C([2H])([2H])Oc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)CO)c1Oc3ccccc3OC)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)/i15D2,16D2

IUPAC

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

Unlabelled CAS Number

253688-60-7

SIL Type

Deuterium

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

API Family

Bosentan

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Chemical Data

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Hydroxy Bosentan-d4

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