
API0233363
Bosentan
Bosentan is used for pulmonary arterial hypertension.
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CAS No.
147536-97-8
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Synonyms
Bosentan; 147536-97-8; Tracleer
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CHEMBL ID
CHEMBL957
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Indications
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Molecule Type
Small molecule
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Compound CID
104865
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Molecular Weight (g/mol)
551.6
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Molecular Formula
C27H29N5O6S
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InChI
InChI=1S/C27H29N5O6S/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)
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InChIKey
GJPICJJJRGTNOD-UHFFFAOYSA-N
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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
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IUPAC Name
4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide
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Exact Mass (Da)
551.18385484
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Monoisotopic Mass (Da)
551.18385484
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