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    Mirodenafil

    ACTIVE PHARMA INGREDIENTS

    DEVELOPMENTS

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 862189-95-5, Mirodenafil [inn], Sk3530, Sk-3530, Sk3530 free base, Sk-3530 free base
    Molecular Formula
    C26H37N5O5S
    Molecular Weight
    531.7  g/mol
    InChI Key
    MIJFNYMSCFYZNY-UHFFFAOYSA-N
    FDA UNII
    504G362H0H
    Mirodenafil has been used in trials studying the treatment and supportive care of Kidney Diseases, Urologic Diseases, Renal Insufficiency, Erectile Dysfunction, and Male Erectile Dysfunction.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
    2.1.2 InChI
    InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)
    2.1.3 InChI Key
    MIJFNYMSCFYZNY-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCC1=CN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CC
    2.2 Other Identifiers
    2.2.1 UNII
    504G362H0H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 5-ethyl-2-(5-(4-(2-hydroxyethyl)piperazine-1-sulfonyl)-2-propoxyphenyl)-7-propyl-3,5-dihydro-4h-pyrrolo(3,2-d)pyrimidin-4-one

    2.3.2 Depositor-Supplied Synonyms

    1. 862189-95-5

    2. Mirodenafil [inn]

    3. Sk3530

    4. Sk-3530

    5. Sk3530 Free Base

    6. Sk-3530 Free Base

    7. Mvix

    8. 504g362h0h

    9. 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-1h-pyrrolo[3,2-d]pyrimidin-4-one

    10. 5-ethyl-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-propoxyphenyl]-7-propyl-3h-pyrrolo[3,2-d]pyrimidin-4-one

    11. Mirodenafilo

    12. Mirodenafilum

    13. Unii-504g362h0h

    14. 5-ethyl-2-(5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)-2-propoxyphenyl)-7-propyl-3,5-dihydro-4h-pyrrolo(3,2-d)pyrimidin-4-one

    15. 5-ethyl-2-(5-{[4-(2-hydroxyethyl)piperazin-1-yl]sulfonyl}-2-propoxyphenyl)-7-propyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one

    16. 862189-96-6

    17. Mirodenafil [inci]

    18. Mirodenafil [who-dd]

    19. Schembl3845775

    20. Chembl4297518

    21. Schembl15481149

    22. Gtpl11738

    23. Dtxsid50881265

    24. Chebi:136049

    25. Bcp07740

    26. Ex-a5487

    27. Sk3530sk3530

    28. Zinc35077050

    29. Db11792

    30. Ncgc00378703-02

    31. Hy-14930

    32. Ft-0672413

    33. Ft-0699556

    34. 189m955

    35. A914996

    36. Q6873840

    37. 5-ethyl-2-(5-(4-(2-hydroxyethyl)piperazine-1-sulfonyl)-2-propoxyphenyl)-7-propyl-3,5-dihydro-4h-pyrrolo(3,2-d)pyrimidin-4-one

    38. 5-ethyl-2-{5-[4-(2-hydroxyethyl)piperazin-1-ylsulfonyl]-2-n-propoxyphenyl}-7-n-propyl-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 531.7 g/mol
    Molecular Formula C26H37N5O5S
    XLogP32.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count11
    Exact Mass531.25154047 g/mol
    Monoisotopic Mass531.25154047 g/mol
    Topological Polar Surface Area125 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity902
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Phosphodiesterase 5 Inhibitors

    Compounds that specifically inhibit PHOSPHODIESTERASE 5. (See all compounds classified as Phosphodiesterase 5 Inhibitors.)