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Hydroxy Bosentan-[d4]

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General Information
Catalog: BLP-013035
CAS: 1065472-91-4
Molecular Formula: C27H25D4N5O7S
Molecular Weight: 571.65

Chemical Structure

Description	Hydroxy Bosentan-[d4] is the labelled analogue of Hydroxy Bosentan, which is the active metabolite of Bosentan. Bosentan is an endothelin receptor antagonist used in the treatment of pulmonary artery hypertension (PAH).
Synonyms	Hydroxy Bosentan D4; 4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy-d4)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide; Ro 48-8634-d4; Ro 48-5033-d4
IUPAC Name	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
Related CAS	253688-60-7 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C([2H])([2H])OC1=NC(=NC(=C1OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)CO)C4=NC=CC=N4)O
Canonical SMILES	CC(C)(CO)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/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
InChI Key	FAJQMBCLPZWTQJ-ONNKGWAKSA-N
Melting Point	>96°C
Purity	>95%
Solubility	Soluble in Methanol (Slightly)
Appearance	White to Yellow Solid
Storage	Store at -20°C under inert atmosphere