bosentan (Q19)

From Chemical Compounds of Interest
Revision as of 15:18, 28 December 2022 by Egonw (talk | contribs) (‎Added reference to claim: has role (P17): hepatotoxic agent (Q42), #quickstatements; #temporary_batch_1672240649338)
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chemical compound
Language Label Description Also known as
English
bosentan
chemical compound

    Statements

    SMILES (without stereochemistry)
    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
    1 reference
    based on heuristic
    inferred from SMILES
    chemical formula
    C₂₇H₂₉N₅O₆S
    1 reference
    based on heuristic
    inferred from SMILES
    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)
    1 reference
    based on heuristic
    inferred from SMILES
     
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