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    Asapiprant

    DEVELOPMENTS

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    2D Structure
    Also known as: 932372-01-5, Asapiprant [inn], Bge-175, B2lw71crgl, S-555739, Bge175
    Molecular Formula
    C24H27N3O7S
    Molecular Weight
    501.6  g/mol
    InChI Key
    ZMZNWNTZRWXTJU-UHFFFAOYSA-N
    FDA UNII
    B2LW71CRGL
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic acid
    2.1.2 InChI
    InChI=1S/C24H27N3O7S/c1-17(2)34-19-4-6-20(7-5-19)35(30,31)27-12-10-26(11-13-27)18-3-8-21(24-25-9-14-32-24)22(15-18)33-16-23(28)29/h3-9,14-15,17H,10-13,16H2,1-2H3,(H,28,29)
    2.1.3 InChI Key
    ZMZNWNTZRWXTJU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)OC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC(=C(C=C3)C4=NC=CO4)OCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    B2LW71CRGL
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-(2-(oxazol-2-yl)-5-(4-(4-((propan-2-yl)oxy)benzenesulfonyl(piperazin-1-yl)phenoxy)acetic Acid

    2. Bge 175

    3. Bge-175

    4. S-555739

    2.3.2 Depositor-Supplied Synonyms

    1. 932372-01-5

    2. Asapiprant [inn]

    3. Bge-175

    4. B2lw71crgl

    5. S-555739

    6. Bge175

    7. 2-(5-(4-((4-isopropoxyphenyl)sulfonyl)piperazin-1-yl)-2-(oxazol-2-yl)phenoxy)acetic Acid

    8. 2-(2-(oxazol-2-yl)-5-(4-(4-((propan-2-yl)oxy)benzenesulfonyl(piperazin-1-yl)phenoxy)acetic Acid

    9. Acetic Acid, 2-(5-(4-((4-(1-methylethoxy)phenyl)sulfonyl)-1-piperazinyl)-2-(2-oxazolyl)phenoxy)-

    10. Unii-b2lw71crgl

    11. Bge175 [who-dd]

    12. Schembl1106973

    13. Chembl3545043

    14. Gtpl11951

    15. Bcp30346

    16. Ex-a2993

    17. Zb1516

    18. Akos037515672

    19. Cs-8174

    20. Sb19848

    21. Example Ii-74 [us8153793b2]

    22. 2-[2-(1,3-oxazol-2-yl)-5-[4-(4-propan-2-yloxyphenyl)sulfonylpiperazin-1-yl]phenoxy]acetic Acid

    23. Ac-36280

    24. Bs-17884

    25. Hy-16763

    26. A16983

    27. D80655

    28. S-555739; Cs-2811

    29. Q27274281

    30. S-555739; S 555739; S555739

    2.4 Create Date
    2012-08-20
    3 Chemical and Physical Properties
    Molecular Weight 501.6 g/mol
    Molecular Formula C24H27N3O7S
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count9
    Exact Mass501.15697138 g/mol
    Monoisotopic Mass501.15697138 g/mol
    Topological Polar Surface Area131 Ų
    Heavy Atom Count35
    Formal Charge0
    Complexity789
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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