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Macitentan-[d4]

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General Information
Catalog: BLP-012425
CAS: 1258428-05-5
Molecular Formula: C19H16D4Br2N6O4S
Molecular Weight: 592.30

Chemical Structure

Description	Macitentan-[d4] is the labelled analogue of Macitentan. Macitentan, is an orally active endothelin receptor antagonist used for pulmonary arterial hypertension.
Synonyms	Macitentan D4; N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propyl-Sulfamide d4
IUPAC Name	5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine
Related CAS	441798-33-0 (unlabelled)
Canonical SMILES	CCCNS(=O)(=O)NC1=C(C(=NC=N1)OCCOC2=NC=C(C=N2)Br)C3=CC=C(C=C3)Br
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
InChI Key	JGCMEBMXRHSZKX-LZMSFWOYSA-N
Boiling Point	692.4±65.0 °C at 760 mmHg
Melting Point	134-136°C
Purity	98% by HPLC; 98% atom D
Density	1.7±0.1 g/cm3
Solubility	Soluble in DMSO, Methanol
Appearance	White to Off-white Solid
Storage	Store at -20°C