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    CAS 63547-24-0

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 63547-24-0, 2-(benzhydrylsulfinyl)acetic acid, 2-benzhydrylsulfinylacetic acid, 2-benzhydrylsulphinylacetic acid, Modafinil carboxylate, Crl 40467
    Molecular Formula
    C15H14O3S
    Molecular Weight
    274.3  g/mol
    InChI Key
    QARQPIWTMBRJFX-UHFFFAOYSA-N
    FDA UNII
    54N37HN7N4
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-benzhydrylsulfinylacetic acid
    2.1.2 InChI
    InChI=1S/C15H14O3S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H,16,17)
    2.1.3 InChI Key
    QARQPIWTMBRJFX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)CC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    54N37HN7N4
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzyhydrylsulfinylacetic Acid

    2. Crl 40467

    3. Crl-40467

    2.3.2 Depositor-Supplied Synonyms

    1. 63547-24-0

    2. 2-(benzhydrylsulfinyl)acetic Acid

    3. 2-benzhydrylsulfinylacetic Acid

    4. 2-benzhydrylsulphinylacetic Acid

    5. Modafinil Carboxylate

    6. Crl 40467

    7. Crl-40467

    8. Acetic Acid, [(diphenylmethyl)sulfinyl]-

    9. Benzhydrylsulfinylacetic Acid

    10. 2-[(diphenylmethyl)sulfinyl]acetic Acid

    11. Modafinil Related Compound A

    12. (benzhydrylsulfinyl)acetic Acid

    13. 54n37hn7n4

    14. Armodafinic Acid

    15. Modafinic Acid

    16. Benzyhydrylsulfinylacetic Acid

    17. Acetic Acid, ((diphenylmethyl)sulfinyl)-

    18. [(rs)-(diphenylmethyl)sulfinyl]acetic Acid

    19. 2-((diphenylmethyl)sulfinyl)acetic Acid

    20. ((rs)-(diphenylmethyl)sulfinyl)acetic Acid

    21. 464k6cg4cc

    22. 461846kjws

    23. Modafinil-acid

    24. Unii-461846kjws

    25. Unii-54n37hn7n4

    26. Modavigil?,provigil

    27. Modafinilic Acid

    28. Acetic Acid, 2-((r)-(diphenylmethyl)sulfinyl)-

    29. (s)-(+)-modafinil Acid

    30. Unii-464k6cg4cc

    31. Benzhydrylsulphinylacetic Acid

    32. 2-benzhydrylsulinylacetic Acid

    33. Schembl900143

    34. (+/-)-modafinic Acid

    35. 2-(benzhydrylsulfinyl)aceticacid

    36. Chembl3544654

    37. (-)-benzhydrylsulfinylacetic Acid

    38. 2-benzhydrylsulphinyl Acetic Acid

    39. Dtxsid60979768

    40. Chebi:178165

    41. (-)-benzhydrylsulphinylacetic Acid

    42. 2-(benzhydryl Sulfinyl)acetic Acid

    43. (-)-benzhydrylsulfinyl Acetic Acid

    44. (diphenylmethanesulfinyl)acetic Acid

    45. 2-diphenylmethanesulfinylacetic Acid

    46. (+/-)-benzhydrylsulfinylacetic Acid

    47. Mfcd09037258

    48. (+/-)-benzhydrylsulfinyl Acetic Acid

    49. Akos004118313

    50. Af-0026

    51. Ac-26312

    52. Modafinil Impurity A [ep Impurity]

    53. Db-013600

    54. Db-049849

    55. Cs-0156524

    56. Modafinil Related Compound A [usp-rs]

    57. F15200

    58. A802488

    59. A914726

    60. Acetic Acid, 2-((diphenylmethyl)sulfinyl)-

    61. Q20707039

    62. 2-[(r)-benzhydrylsulfinyl]acetic Acid;(r)-(-)-modafinic Acid

    63. 2-[[2-(aminocarbonyl)-5-ethoxyphenyl]thio]aceticacid

    64. Modafinil Acid, 1.0 Mg/ml In Acetonitrile, Ampule Of 1 Ml, Certified Reference Material

    65. Modafinil Related Compound A, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 274.3 g/mol
    Molecular Formula C15H14O3S
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass274.06636548 g/mol
    Monoisotopic Mass274.06636548 g/mol
    Topological Polar Surface Area73.6 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity299
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1