Terminology Service for NFDI4Health
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ACT-132577

Go to external page http://purl.obolibrary.org/obo/CHEBI_76609

A member of the class of sulfamides in which one of the amino groups of sulfonamide is substituted by a 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl group. An active metabolite of macitentan (obtained by oxidative depropylation), an orphan drug used for the treatment of pulmonary arterial hypertension.

Term info

Label

ACT-132577

Synonyms
  • N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]sulfuric diamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl]sulfuric diamide [ IUPAC ]

charge

0

formula

C16H14Br2N6O4S

has obo namespace

chebi_ontology

id

CHEBI:76609

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

mass

546.19300

monoisotopicmass

543.91640

smiles

NS(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1