N-[6-(2-Hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-Bipyrimidin-4-Yl]-4-(1-Hydroxy-2-Methyl-2-Propanyl)Benzenesulfonamide
[CAS# 253688-60-7]

Identification

• Name: N-[6-(2-Hydroxyethoxy)-5-(2-Methoxyphenoxy)-2,2'-Bipyrimidin-4-Yl]-4-(1-Hydroxy-2-Methyl-2-Propanyl)Benzenesulfonamide
• Synonyms: Benzenesulfonamide, 4-(2-hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-; Hydroxy Bosentan; MS/MS-1005710
• Molecular Formula: C₂₇H₂₉N₅O₇S
• Molecular Weight: 567.61
• CAS Registry Number: 253688-60-7
• SMILES: O=S(=O)(c1ccc(cc1)C(C)(C)CO)Nc3nc(nc(OCCO)c3Oc2ccccc2OC)c4ncccn4
• 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)
• InChIKey: FAJQMBCLPZWTQJ-UHFFFAOYSA-N

Properties

• Density: 1.373g/cm³ (Cal.)
• Boiling point: 783.88°C at 760 mmHg (Cal.)
• Flash point: 427.875°C (Cal.)
• Refractive index: 1.62 (Cal.)