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N-Despropyl Macitentan-[d4]

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General Information
Catalog: BLP-006028
Molecular Formula: C16H10D4Br2N6O4S
Molecular Weight: 550.22

Chemical Structure

Description	N-Despropyl Macitentan-[d4] is the labelled analogue of N-Despropyl Macitentan, which is an active metabolite of Macitentan. N-Despropyl-macitentan is part of the family of endothelin receptor antagonist that allows for treatment of pulmonary arterial hypertension (PAH).
Synonyms	Macitentan ACT-132577 D4; N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-sulfamide-d4; N-Despropyl Macitentan-d4; Aprocitentan D4
IUPAC Name	5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxy-1,1,2,2-tetradeuterioethoxy]-6-(sulfamoylamino)pyrimidine
Related CAS	1103522-45-7 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)N)Br
InChI	InChI=1S/C16H14Br2N6O4S/c17-11-3-1-10(2-4-11)13-14(24-29(19,25)26)22-9-23-15(13)27-5-6-28-16-20-7-12(18)8-21-16/h1-4,7-9H,5-6H2,(H2,19,25,26)(H,22,23,24)/i5D2,6D2
InChI Key	DKULOVKANLVDEA-NZLXMSDQSA-N
Purity	98% HPLC