Bosentan Monohydrate
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate
Also Known As: Bosentan hydrate|bosentan monohydrate|Bosentan|Tracleer|bosetan|stayveer|Actelion|Bosentan (hydrate)|Bosentan [USAN]|Tracleer (TN)|Bosentan (USAN)|Bosentan hydrate (JAN)|BOSENTAN [VANDF]|Bosentan [USAN:INN:BAN]|BOSENTAN [USP-RS]|4-(tert-Butyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-[2,2'-bipyrimidin]-4-yl)benzenesulfonamide hydrate|Benzenemethanamine, 2-nitro-|(XYL)2P(O)H|Tracleer, Bosentan monohydrate|1-N-Boc-4-Mercaptopiperidine|bosentan hydratesee b675900|Bosentan (hydrate) (Standard)|BOSENTAN [ORANGE BOOK]|BOSENTAN HYDRATE [JAN]|HY-A0013AR|HY-A0013A|BOSENTAN MONOHYDRATE [MI]|CS-M0881
| Molecular Formula | C27H31N5O7S |
|---|---|
| Molecular Weight | 569.1944 g/mol |
| LogP | 3.3792 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 569.1944 |
| Monoisotopic Mass | 569.1944 |
| Heavy Atoms | 40 |
| Complexity | 839.0 |
Chemical Identifiers
| CAS Number | 71250-20-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC.O |
| InChIKey | SXTRWVVIEPWAKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bosentan Monohydrate (CAS 71250-20-9), with molecular formula C27H31N5O7S and molecular weight 569.1944 g/mol. IUPAC: 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide;hydrate.
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