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    Technical details about 4-Methylhippuric Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    4-Methylhippuric Acid

    PRICE INFORMATION

    PharmaCompass

    Inke S.A: APIs manufacturing plant.

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    2D Structure
    1. Also known as: 27115-50-0, N-(4-methylbenzoyl)glycine, P-toluric acid, P-methylhippuric acid, N-(p-toluoyl)glycine, Glycine, n-(4-methylbenzoyl)-
    Molecular Formula
    C10H11NO3
    Molecular Weight
    193.20  g/mol
    InChI Key
    NRSCPTLHWVWLLH-UHFFFAOYSA-N
    FDA UNII
    9QOX0DSK6F
    4-Methylhippuric Acid is an isoform of methylhippuric acid where the methyl and glycine groups are bound to carbon-1 and carbon-4 on the benzene ring, respectively. Since 4-methylhippuric acid (4-MHA) is a metabolite of p-xylene, the measurement of 4-MHA in urine may be correlated to a subject's level of xylene exposure.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(4-methylbenzoyl)amino]acetic acid
    2.1.2 InChI
    InChI=1S/C10H11NO3/c1-7-2-4-8(5-3-7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
    2.1.3 InChI Key
    NRSCPTLHWVWLLH-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=C(C=C1)C(=O)NCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    9QOX0DSK6F
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. P-methylhippuric Acid

    2. Para-methylhippuric Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 27115-50-0

    2. N-(4-methylbenzoyl)glycine

    3. P-toluric Acid

    4. P-methylhippuric Acid

    5. N-(p-toluoyl)glycine

    6. Glycine, N-(4-methylbenzoyl)-

    7. 4-methyl Hippuric Acid

    8. Hippuric Acid, P-methyl-

    9. 2-[(4-methylbenzoyl)amino]acetic Acid

    10. 2-(4-methylbenzamido)acetic Acid

    11. Para-methylhippuric Acid

    12. N-(p-toluoyl)-glycine

    13. 9qox0dsk6f

    14. 2-[(4-methylphenyl)formamido]acetic Acid

    15. Chembl274877

    16. Chebi:68552

    17. (4-methyl-benzoylamino)-acetic Acid

    18. N-[(4-methylphenyl)carbonyl]glycine

    19. Nsc-126814

    20. ((4-methylbenzoyl)amino)acetic Acid

    21. [(4-methylbenzoyl)amino]acetic Acid

    22. Unii-9qox0dsk6f

    23. N-(p-methylbenzoyl)glycine

    24. Nsc 126814

    25. P-toluoylglycine

    26. Einecs 248-231-8

    27. Maybridge1_005796

    28. Toluric Acid, P-

    29. 4-methylhippuricacid

    30. Oprea1_357822

    31. 4-methylhippuric Acid, 98%

    32. Divk1c_002084

    33. Glycine,n-(4-methylbenzoyl)-

    34. Schembl1285723

    35. 2-(4-methylbenzamido)aceticacid

    36. Hms557p10

    37. Zinc51120

    38. Dtxsid00181580

    39. Albb-025852

    40. Bbl025689

    41. Bdbm50016613

    42. Mfcd00020449

    43. Nsc126814

    44. Stk696186

    45. Akos001043926

    46. [(4-methylbenzoyl)amino]acetic Acid #

    47. Cds1_001044

    48. (4-methylbenzoylamino)acetic Acid

    49. Cs-0137678

    50. Ft-0619087

    51. T0313

    52. D95330

    53. M-3784

    54. Sr-01000514107

    55. Sr-01000514107-1

    56. (((4-methylphenyl)carbonyl)amino)acetic Acid

    57. Q22132817

    58. Z56899118

    59. F1130-0053

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 193.20 g/mol
    Molecular Formula C10H11NO3
    XLogP31.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass193.07389321 g/mol
    Monoisotopic Mass193.07389321 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity219
    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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