Macitentan-d4

• CAT Number: S000294
• CAS Number: 1258428-05-5
• Molecular Formula: C19H16D4Br2N6O4S
• Molecular Weight: 592.3
• Purity: ≥95%
• IUPAC Name: 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
• InChI: InChI=1S/C19H20Br2N6O4S/c1-2-7-26-32(28,29)27-17-16(13-3-5-14(20)6-4-13)18(25-12-24-17)30-8-9-31-19-22-10-15(21)11-23-19/h3-6,10-12,26H,2,7-9H2,1H3,(H,24,25,27)/i8D2,9D2
• InChIKey: JGCMEBMXRHSZKX-LZMSFWOYSA-N
• SMILES: [2H]C([2H])(C([2H])([2H])OC1=NC=C(C=N1)Br)OC2=NC=NC(=C2C3=CC=C(C=C3)Br)NS(=O)(=O)NCCC

Macitentan-d₄(CAT: S000294) is a deuterated form of macitentan, a dual endothelin receptor antagonist used in the treatment of pulmonary arterial hypertension (PAH). In this isotopically labeled compound, four hydrogen atoms are replaced with deuterium (²H), making it chemically and pharmacologically equivalent to macitentan but distinguishable by mass spectrometry. Macitentan-d₄ is primarily used as an internal standard in bioanalytical assays such as LC-MS/MS, enabling accurate quantification of macitentan in biological samples by compensating for variability in extraction and detection.