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Hydroxy Bosentan-[d6]

General Information
Catalog: BLP-013036
CAS: 1246817-57-1
Molecular Formula: C27H23D6N5O7S
Molecular Weight: 573.66
Chemical Structure
Hydroxy Bosentan-[d6]
Description Hydroxy Bosentan-[d6] 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 D6; 4-[2-Hydroxy-1,1-(dimethyl-d6)ethyl]-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide; Ro 48-8634-d6; Ro 48-5033-d6
IUPAC Name 4-[1,1,1,3,3,3-hexadeuterio-2-(hydroxymethyl)propan-2-yl]-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Related CAS 253688-60-7 (unlabelled)
Isomeric SMILES [2H]C([2H])([2H])C(CO)(C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC)C([2H])([2H])[2H]
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)/i1D3,2D3
InChI Key FAJQMBCLPZWTQJ-WFGJKAKNSA-N
Purity >95%
Solubility Soluble in DMSO (Slightly), Methanol (Slightly)
Appearance White Solid
Storage Store at -20°C under inert atmosphere

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