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    Technical details about DSSTox_CID_28885, learn more about the structure, uses, toxicity, action, side effects and more

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    DSSTox_CID_28885

    APIs // Active Pharmaceutical Ingredients

    DOSSIERs // Finished Dosage Forms

    ANALYTICAL SOLUTION(s)

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    Also known as: 4-carbamoyl-2-acetamidobutanoic acid, N(2)-acetylglutamine, 5817-09-4, N(sup2)-acetyl-l-glutamine, Chebi:73685, L-glutamine, n2-acetyl-
    Molecular Formula
    C7H12N2O4
    Molecular Weight
    188.18  g/mol
    InChI Key
    KSMRODHGGIIXDV-UHFFFAOYSA-N
    N-Acetyl-glutamine is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-acetamido-5-amino-5-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)
    2.1.3 InChI Key
    KSMRODHGGIIXDV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)NC(CCC(=O)N)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 4-carbamoyl-2-acetamidobutanoic Acid

    2. N(2)-acetylglutamine

    3. 5817-09-4

    4. N(sup2)-acetyl-l-glutamine

    5. Chebi:73685

    6. L-glutamine, N2-acetyl-

    7. Ncgc00183120-01

    8. Alpha-n-acetyl-l-glutamine;n2-acetylglutamine

    9. Alpha-n-acetyl-l-glutamine

    10. Dsstox_cid_28885

    11. Dsstox_rid_83153

    12. Dsstox_gsid_48959

    13. Glutamine, N2-acetyl-, L- (8ci)

    14. Glutamine, N-acetyl-

    15. Cas-2490-97-3

    16. Aceglutamidum [inn-latin]

    17. Aceglutamida [inn-spanish]

    18. Mfcd00038159

    19. Nsc-186896

    20. 2-acetamido-5-amino-5-oxopentanoic Acid

    21. Bmse000145

    22. Bmse001000

    23. Schembl287577

    24. Alpha-n-acetyl-glutamine

    25. Chembl3184604

    26. 4-carbamoyl-2-acetamidobutanoicacid

    27. Tox21_113393

    28. Nsc186896

    29. Akos000159972

    30. Akos016605458

    31. Tox21_113393_1

    32. Ncgc00344533-01

    33. Sy057113

    34. Db-046574

    35. Ft-0629740

    36. Ft-0629834

    37. 2-(acetylamino)-5-amino-5-oxopentanoic Acid

    38. En300-65857

    39. Q-100009

    40. Q4673064

    41. Z85900147

    42. 10b6e98f-2cb8-4d96-80d6-1cdc5541d3b2

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 188.18 g/mol
    Molecular Formula C7H12N2O4
    XLogP3-1.4
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass188.07970687 g/mol
    Monoisotopic Mass188.07970687 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count13
    Formal Charge0
    Complexity227
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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