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Product Overview

Product Code

TRC-B675905

CAS Number

157212-55-0

Product Format

Neat

Molecular Formula

C27 H29 N5 O6 S . H2 O

Molecular Weight

569.63

API Family

Bosentan Monohydrate, Bosentan

Product Categories

TRC, Pharmaceutical Toxicology Reference Materials , API Reference Standards & Research Materials

Product Type

API, Synthesis tool

Alternate CAS Number

Free base: 147536-97-8

Documentation

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Product Information

Chemical Data

Analyte Name

Bosentan Monohydrate

CAS Number

157212-55-0

Molecular Formula

C27 H29 N5 O6 S . H2 O

Molecular Weight

569.63

Accurate Mass

569.1944

SMILES

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

InChI

InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2

IUPAC

4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate

Alternate CAS Number

Free base: 147536-97-8

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Bosentan Monohydrate; Bosentan

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Bosentan Hydrate

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