Macitentan

Chemical Information
Macitentan is a member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension. It has a role as an antihypertensive agent, an endothelin receptor antagonist and an orphan drug. It is an aromatic ether, a ring assembly, an organobromine compound, a member of pyrimidines and a member of sulfamides. It is functionally related to an ethylene glycol and an ACT-132577.
| CAS Number | 441798-33-0 |
| PubChem CID | 16004692 |
| IUPAC Name | 5-(4-bromophenyl)-6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-N-(propylsulfamoyl)pyrimidin-4-amine |
| Molecular Formula | C19H20Br2N6O4S |
| Molecular Weight | 588.3 |
| XLogP | 3.7 |
| Topological Polar Surface Area | 137 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 642 |
| Property | Value |
|---|---|
| Molecular Weight | 588.3 |
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 11 |
| Exact Mass | 587.96130 |
| Monoisotopic Mass | 585.96335 |
| Topological Polar Surface Area | 137 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 642 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Alternative Products
| Catalog | Name |
|---|---|
| T2561-01 | Macitentan |
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