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Bosentan-[d4]

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General Information
Catalog: BLP-011816
CAS: 1065472-77-6
Molecular Formula: C27H25D4N5O6S
Molecular Weight: 555.65

Chemical Structure

Description	Bosentan-[d4] is the labelled analogue of Bosentan. Bosentan is an endothelin receptor antagonist indicated for pulmonary artery hypertension (PAH).
Synonyms	Bosentan D4; 4-(1,1-Dimethylethyl)-N-[6-(2-hydroxyethoxy-d4)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]benzenesulfonamide; p-tert-Butyl-N-[6-(2-hydroxyethoxy-d4)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]benzenesulfonamide; Actelion-d4; Ro 47-0203-d4; Tracleer-d4
IUPAC Name	4-tert-butyl-N-[5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-6-(1,1,2,2-tetradeuterio-2-hydroxyethoxy)pyrimidin-4-yl]benzenesulfonamide
Related CAS	147536-97-8 (unlabelled)
Canonical SMILES	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC
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)/i16D2,17D2
InChI Key	GJPICJJJRGTNOD-RZOBCMOLSA-N
Melting Point	97-104°C
Purity	≥96% by HPLC; ≥99% atom D
Solubility	Soluble in Chloroform (Slightly), Methanol (Very Slightly)
Appearance	Off-White to Pale Yellow Solid
Storage	Store at -20°C