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Desmethyl Bosentan

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For Research Use Only | Not For Clinical Use
CATAPS253688618
CAS253688-61-8
Structure
IUPAC Name4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
Molecular Weight537.59
Molecular FormulaC26H27N5O6S
Canonical SMILESCC(C)(C)c1ccc(cc1)S(=O)(=O)Nc2nc(nc(OCCO)c2Oc3ccccc3O)c4ncccn4
InChIInChI=1S/C26H27N5O6S/c1-26(2,3)17-9-11-18(12-10-17)38(34,35)31-22-21(37-20-8-5-4-7-19(20)33)25(36-16-15-32)30-24(29-22)23-27-13-6-14-28-23/h4-14,32-33H,15-16H2,1-3H3,(H,29,30,31)
Accurate Mass537.1682
FormatNeat
SubcategoryEnzyme inhibitors
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