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Bosentan-[13C2,d4]

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Metabolic Research

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Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

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Bosentan-[13C2,d4]

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General Information
Catalog: BLP-015153
Molecular Formula: C25[13C]2H25D4N5O6S
Molecular Weight: 557.62

Chemical Structure

Description	Bosentan-[13C2,d4] is the labeled analogue of Bosentan, a mixed endothelin receptor antagonist used as a vasodilator.
Synonyms	4-(tert-Butyl)-N-(6-(2-hydroxyethoxy-1,2-13C2-1,1,2,2-d4)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide; 4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy-13C2,d4)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide; p-tert-Butyl-N-[6-(2-hydroxyethoxy-13C2,d4)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide; Actelion-13C2,d4; Ro 47-0203-13C2,d4; Ro 47-0203/039-13C2,d4; Tracleer-13C2,d4; Bosentan-13C2,d4
IUPAC Name	4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxy(1,2-13C2)ethoxy)pyrimidin-4-yl]benzenesulfonamide
Related CAS	147536-97-8 (unlabelled)
Canonical SMILES	[2H][13C]([2H])([13C]([2H])([2H])OC1=NC(=NC(=C1OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4)O
InChI	InChI=1S/C27H29N5O6S/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)/i16+1D2,17+1D2
InChI Key	GJPICJJJRGTNOD-ZREPRRIZSA-N
Purity	>95%
Storage	Store at 2-8 °C

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