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    Pivagabine

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
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    2D Structure
    Also known as: 69542-93-4, 4-pivalamidobutanoic acid, 4-[(2,2-dimethylpropanoyl)amino]butanoic acid, Cxb-722, Pivagabine [inn], 4-(2,2-dimethylpropanoylamino)butanoic acid
    Molecular Formula
    C9H17NO3
    Molecular Weight
    187.24  g/mol
    InChI Key
    SRPNQDXRVRCTNK-UHFFFAOYSA-N
    FDA UNII
    C53SV0WO4V
    Pivagabine has been used in trials studying the treatment of Stress and Anxiety.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2,2-dimethylpropanoylamino)butanoic acid
    2.1.2 InChI
    InChI=1S/C9H17NO3/c1-9(2,3)8(13)10-6-4-5-7(11)12/h4-6H2,1-3H3,(H,10,13)(H,11,12)
    2.1.3 InChI Key
    SRPNQDXRVRCTNK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)C(=O)NCCCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    C53SV0WO4V
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-((2,2-dimethyl-1-oxopropyl)amino)butanoic Acid

    2. N-trimethylacetyl Gaba

    3. N-trimethylacetyl-4-aminobutyric Acid

    4. Pivagabin

    5. Tonerg

    2.3.2 Depositor-Supplied Synonyms

    1. 69542-93-4

    2. 4-pivalamidobutanoic Acid

    3. 4-[(2,2-dimethylpropanoyl)amino]butanoic Acid

    4. Cxb-722

    5. Pivagabine [inn]

    6. 4-(2,2-dimethylpropanoylamino)butanoic Acid

    7. Cxb722

    8. 4-pivalamidobutyric Acid

    9. C53sv0wo4v

    10. Pivagabine (inn)

    11. 4-(2,2-dimethylpropionylamino)butyric Acid

    12. Ncgc00160457-01

    13. Dsstox_cid_26162

    14. Dsstox_rid_81393

    15. Dsstox_gsid_46162

    16. Tonerg

    17. Cas-69542-93-4

    18. 4-pivalamidobutanoicacid

    19. Sr-01000945179

    20. N-trimethylacetyl-4-aminobutyric Acid

    21. Unii-c53sv0wo4v

    22. Einecs 274-038-3

    23. 4-(2,2-dimethylpropanamido)butanoic Acid

    24. 4-pivalamido-butyric Acid

    25. Pivagabine [mart.]

    26. Pivagabine [who-dd]

    27. Schembl96152

    28. Butyric Acid, 4-pivalamido-

    29. N-pivaloyl-4-aminobutyric Acid

    30. Chembl1870796

    31. Dtxsid3046162

    32. Niosh/et6170000

    33. Chebi:134834

    34. Act10073

    35. Zinc1545856

    36. Tox21_111827

    37. Mfcd00868454

    38. Akos000127419

    39. Tox21_111827_1

    40. Db12951

    41. Ncgc00160457-02

    42. Da-18317

    43. Hy-108295

    44. 4- (2,2-dimethylpropionylamino)butyric Acid

    45. Cs-0028165

    46. Et61700000

    47. Ft-0744708

    48. 4-((2,2-dimethylpropionyl)amino)butyric Acid

    49. En300-27463

    50. D07342

    51. A866811

    52. J-514186

    53. Q7199622

    54. Sr-01000945179-1

    55. Sr-01000945179-2

    56. Z85888809

    57. Butanoic Acid, 4-((2,2-dimethyl-1-oxopropyl)amino)-

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 187.24 g/mol
    Molecular Formula C9H17NO3
    XLogP30.8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass187.12084340 g/mol
    Monoisotopic Mass187.12084340 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity194
    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 ATC Code

    N - Nervous system

    N06 - Psychoanaleptics

    N06A - Antidepressants

    N06AX - Other antidepressants

    N06AX15 - Pivagabine