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    Esaxerenone

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1632006-28-0, Cs-3150, Esaxerenone [inn], Xl-550, N62tgj04a1, 1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
    Molecular Formula
    C22H21F3N2O4S
    Molecular Weight
    466.5  g/mol
    InChI Key
    NOSNHVJANRODGR-UHFFFAOYSA-N
    FDA UNII
    N62TGJ04A1
    Esaxerenone is under investigation in clinical trial NCT02722265 (Long-term Study of CS-3150 as Monotherapy or in Combination With Other Antihypertensive Drug in Japanese Patients With Essential Hypertension).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
    2.1.2 InChI
    InChI=1S/C22H21F3N2O4S/c1-14-18(21(29)26-15-7-9-16(10-8-15)32(2,30)31)13-27(11-12-28)20(14)17-5-3-4-6-19(17)22(23,24)25/h3-10,13,28H,11-12H2,1-2H3,(H,26,29)
    2.1.3 InChI Key
    NOSNHVJANRODGR-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(N(C=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)C)CCO)C3=CC=CC=C3C(F)(F)F
    2.2 Other Identifiers
    2.2.1 UNII
    N62TGJ04A1
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-(2-hydroxyethyl)-4-methyl-n-(4-(methylsulfonyl)phenyl)-5-(2-(trifluoromethyl)phenyl)-1h-pyrrole-3-carboxamide

    2. Cs-3150

    2.3.2 Depositor-Supplied Synonyms

    1. 1632006-28-0

    2. Cs-3150

    3. Esaxerenone [inn]

    4. Xl-550

    5. N62tgj04a1

    6. 1-(2-hydroxyethyl)-4-methyl-n-(4-methylsulfonylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

    7. Unii-n62tgj04a1

    8. 1-(2-hydroxyethyl)-4-methyl-n-(4-(methylsulfonyl)phenyl)-5-(2-(trifluoromethyl)phenyl)-1h-pyrrole-3-carboxamide

    9. Chembl2181932

    10. 1h-pyrrole-3-carboxamide, 1-(2-hydroxyethyl)-4-methyl-n-(4-(methylsulfonyl)phenyl)-5-(2-(trifluoromethyl)phenyl)-, (5s)-

    11. E6r

    12. Esaxerenone (jan/inn)

    13. Esaxerenone [jan]

    14. Esaxerenone [who-dd]

    15. Gtpl9894

    16. Schembl1381714

    17. Dtxsid601336896

    18. Glxc-26595

    19. Ex-a2595

    20. Bdbm50398059

    21. Cs-3150 (esaxerenone;xl-550)

    22. Akos032946523

    23. Cs-8044

    24. Db15207

    25. Cs-3150; Xl-550

    26. Ac-36169

    27. Ms-28595

    28. Hy-100471

    29. A16925

    30. D10892

    31. Q27284603

    32. (+/-)-1-(2-hydroxyethyl)-4-methyl-n-[4-(methylsulfonyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide

    33. 1-(2-hydroxyethyl)-n-(4-methanesulfonylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1h-pyrrole-3-carboxamide

    34. 880780-76-7

    2.4 Create Date
    2008-11-24
    3 Chemical and Physical Properties
    Molecular Weight 466.5 g/mol
    Molecular Formula C22H21F3N2O4S
    XLogP32.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area96.8
    Heavy Atom Count32
    Formal Charge0
    Complexity747
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1