API0232665

Aprocitentan

Aprocitentan is an endothelin receptor antagonist used for hypertension.

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Molecular Weight (g/mol)

546.2
Molecular Formula

C16H14Br2N6O4S
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)
InChIKey

DKULOVKANLVDEA-UHFFFAOYSA-N
SMILES

C1=CC(=CC=C1C2=C(N=CN=C2OCCOC3=NC=C(C=N3)Br)NS(=O)(=O)N)Br
IUPAC Name

5-(4-bromophenyl)-4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-(sulfamoylamino)pyrimidine
Exact Mass (Da)

545.91435
Monoisotopic Mass (Da)

543.9164

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