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Product Overview

Product Code

TRC-M105005

CAS Number

441798-33-0

Product Format

Neat

Molecular Formula

C19 H20 Br2 N6 O4 S

Molecular Weight

588.27

API Family

Macitentan

Product Categories

TRC, Enzyme agonists & antagonists, API Reference Standards & Research Materials, Pharmaceutical Toxicology Reference Materials

Product Type

API, Synthesis tool

Documentation

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Product Information

Chemical Data

Analyte Name

Macitentan

CAS Number

441798-33-0

Molecular Formula

C19 H20 Br2 N6 O4 S

Molecular Weight

588.27

Accurate Mass

585.9633

SMILES

CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1c3ccc(Br)cc3

InChI

InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)

IUPAC

5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Macitentan

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