N,N'-[1,2-Ethanediylbis[oxy[5-(2-methoxyphenoxy)[2,2'-bipyrimidine]-6,4-diyl]]]bis[4-(1,1-dimethylethyl)-benzenesulfonamide-d4

CAS: 1097263-60-9

Ref. TR-E676302

Product Information

• Name: N,N'-[1,2-Ethanediylbis[oxy[5-(2-methoxyphenoxy)[2,2'-bipyrimidine]-6,4-diyl]]]bis[4-(1,1-dimethylethyl)-benzenesulfonamide-d4
• Synonyms: Bosentan impurity C-d4

Description

Applications N,N'-[1,2-Ethanediylbis[oxy[5-(2-methoxyphenoxy)[2,2'-bipyrimidine]-6,4-diyl]]]bis[4-(1,1-dimethylethyl)-benzenesulfonamide-d4 is labelled N,N'-[1,2-Ethanediylbis[oxy[5-(2-methoxyphenoxy)[2,2'-bipyrimidine]-6,4-diyl]]]bis[4-(1,1-dimethylethyl)-benzenesulfonamide (E676300) which is an impurity of Bosentan (B675900), a mixed endothelin receptor antagonist.
References Clozel, M., et al.: J. Pharmacol. Exp. Ther., 270, 228 (1994), Gutsch, G., et al.: Cardiovasc. Drugs Ther., 10, 717 (1996), Weber, C., et al.: Clin Pharmacol. Ther., 60, 124 (1996), Krum, H., et al.: N. Engl. J. Med., 338, 784 (1998)

• Brand: TRC

Chemical properties

• Molecular weight: 1045.185
• Formula: C₅₂D₄H₄₈N₁₀O₁₀S₂
• Color/Form: Neat
• InChI: InChI=1S/C52H52N10O10S2/c1-51(2,3)33-19-23-35(24-20-33)73(63,64)61-43-41(71-39-17-11-9-15-37(39)67-7)49(59-47(57-43)45-53-27-13-28-54-45)69-31-32-70-50-42(72-40-18-12-10-16-38(40)68-8)44(58-48(60-50)46-55-29-14-30-56-46)62-74(65,66)36-25-21-34(22-26-36)52(4,5)6/h9-30H,31-32H2,1-8H3,(H,57,59,61)(H,58,60,62)/i31D2,32D2
• InChI key: InChIKey=WJWCTRNSPLUHTB-BYLFMYFLSA-N
• SMILES: [2H]C([2H])(Oc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC)C([2H])([2H])Oc1nc(-c2ncccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC