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    Omidenepag Isopropyl

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    2D Structure
    Also known as: 1187451-19-9, De-117, Omidenepag isopropyl [usan], G0g0h52u6k, Propan-2-yl n-(6-((n-((4-(1h-pyrazol-1-yl)phenyl)methyl)pyridine-3-sulfonamido)methyl)pyridin-2-yl)glycinate, Omidenepag isopropyl (jan)
    Molecular Formula
    C26H28N6O4S
    Molecular Weight
    520.6  g/mol
    InChI Key
    VIQCWEGEHRBLAC-UHFFFAOYSA-N
    FDA UNII
    G0G0H52U6K
    Omidenepag isopropyl is under investigation in clinical trial NCT02179008 (Multi-center Phase II Study Assessing the Safety and Efficacy of DE-117 Ophthalmic Solution in Subjects With Primary Open-angle Glaucoma or Ocular Hypertension).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    propan-2-yl 2-[[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetate
    2.1.2 InChI
    InChI=1S/C26H28N6O4S/c1-20(2)36-26(33)17-28-25-8-3-6-22(30-25)19-31(37(34,35)24-7-4-13-27-16-24)18-21-9-11-23(12-10-21)32-15-5-14-29-32/h3-16,20H,17-19H2,1-2H3,(H,28,30)
    2.1.3 InChI Key
    VIQCWEGEHRBLAC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)OC(=O)CNC1=CC=CC(=N1)CN(CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4
    2.2 Other Identifiers
    2.2.1 UNII
    G0G0H52U6K
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Glycine, N-(6-((((4-(1h-pyrazol-1-yl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)-2-pyridinyl)-, 1-methylethyl Ester

    2. Isopropyl N-(6-(((4-(1h-pyrazol-1-yl)benzyl)(3-pyridinylsulfonyl)amino)methyl)-2-pyridinyl)glycinate

    2.3.2 Depositor-Supplied Synonyms

    1. 1187451-19-9

    2. De-117

    3. Omidenepag Isopropyl [usan]

    4. G0g0h52u6k

    5. Propan-2-yl N-(6-((n-((4-(1h-pyrazol-1-yl)phenyl)methyl)pyridine-3-sulfonamido)methyl)pyridin-2-yl)glycinate

    6. Omidenepag Isopropyl (jan)

    7. Omidenepag Isopropyl [jan]

    8. Glycine, N-(6-((((4-(1h-pyrazol-1-yl)phenyl)methyl)(3-pyridinylsulfonyl)amino)methyl)-2-pyridinyl)-, 1-methylethyl Ester

    9. Glycine, N-[6-[[[[4-(1h-pyrazol-1-yl)phenyl]methyl](3-pyridinylsulfonyl)amino]methyl]-2-pyridinyl]-, 1-methylethyl Ester

    10. Eybelis (tn)

    11. Unii-g0g0h52u6k

    12. Chembl4297666

    13. Schembl15414827

    14. Tqr1222

    15. Dtxsid001106409

    16. Bcp26206

    17. Ex-a4371

    18. Bdbm50506549

    19. Omidenepag Isopropyl [who-dd]

    20. At36244

    21. Db15071

    22. Sb18739

    23. Hy-111406

    24. Cs-0040499

    25. Omdi;de-117; De 117; De117

    26. D10966

    27. Q27896252

    28. Isopropyl 2-((6-((n-(4-(1h-pyrazol-1-yl)benzyl)pyridine-3-sulfonamido)methyl)pyridin-2-yl)amino)acetate

    29. N-[6-[[[[4-(1h-pyrazol-1-yl)phenyl]methyl](3-pyridinylsulfonyl)amino]methyl]-2-pyridinyl]glycine 1-methylethyl Ester

    30. Propan-2-yl 2-[[6-[[(4-pyrazol-1-ylphenyl)methyl-pyridin-3-ylsulfonylamino]methyl]pyridin-2-yl]amino]acetate

    2.4 Create Date
    2009-10-19
    3 Chemical and Physical Properties
    Molecular Weight 520.6 g/mol
    Molecular Formula C26H28N6O4S
    XLogP33
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count9
    Rotatable Bond Count12
    Exact Mass520.18927457 g/mol
    Monoisotopic Mass520.18927457 g/mol
    Topological Polar Surface Area128 Ų
    Heavy Atom Count37
    Formal Charge0
    Complexity814
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1