| Chemical & Physical Properties | |
|---|---|
| CAS Number | 157212-55-0 |
| Catalog No. | 2A-9077401 |
| Chinese Name | 波生坦 |
| Synonyms | Tracleer; Bosentan hydrate; Bosentan monohydrate; UNII-Q326023R30; Bosentan (hydrate) |
| Molecular Formula | C27H31N5O7S |
| Molecular Weight | 569.63 |
| Boiling Point | 742.3ºC at 760 mmHg |
| Appearance | solid |
| Storage Condition | Room temperature, dry, sealed |
| Application | Bosentan hydrate is a competitive endothelin-1 (ET) antagonist in human SMC at ETA and ETB receptors with Ki of 4.7 nM and 95 nM, respectively. |
| PubChem ID | 7848290 |
| SMILES | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO.O |
| InChI | InChI=1S/C27H29N5O6S.H2O/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24;/h5-15,33H,16-17H2,1-4H3,(H,30,31,32);1H2 |
| InChI Key | SXTRWVVIEPWAKM-UHFFFAOYSA-N |
| Transport Info | Product name: Bosentan monohydrate |
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