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    API Import of 2-Methylhippuric Acid obtained from Indian Customs Trade Statistics

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    Chemistry

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    Also known as: 42013-20-7, N-(o-toluoyl)glycine, O-toluric acid, N-(2-methylbenzoyl)glycine, O-methylhippuric acid, 2-(2-methylbenzamido)acetic acid
    Molecular Formula
    C10H11NO3
    Molecular Weight
    193.20  g/mol
    InChI Key
    YOEBAVRJHRCKRE-UHFFFAOYSA-N
    FDA UNII
    J043BCI40Z
    2-Methylhippuric Acid
    2-Methylhippuric Acid is an isoform of methylhippuric acid where the methyl and glycine groups are bound to carbon-1 and carbon-2 on the benzene ring, respectively. Since 2-methylhippuric acid (2-MHA) is a metabolite of o-xylene, the measurement of 2-MHA in urine may be correlated to a subject's level of xylene exposure.
    1 2D Structure

    2-Methylhippuric Acid

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[(2-methylbenzoyl)amino]acetic acid
    2.1.2 InChI
    InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
    2.1.3 InChI Key
    YOEBAVRJHRCKRE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=CC=CC=C1C(=O)NCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    J043BCI40Z
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. O-methylhippuric Acid

    2. Ortho-methylhippuric Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 42013-20-7

    2. N-(o-toluoyl)glycine

    3. O-toluric Acid

    4. N-(2-methylbenzoyl)glycine

    5. O-methylhippuric Acid

    6. 2-(2-methylbenzamido)acetic Acid

    7. 2-methyl Hippuric Acid

    8. Glycine, N-(2-methylbenzoyl)-

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

    10. 2-[(2-methylphenyl)formamido]acetic Acid

    11. N-(o-toluoyl)-glycine

    12. Ortho-methylhippuric Acid

    13. Mls001002411

    14. J043bci40z

    15. Chebi:68455

    16. Nsc-163983

    17. Smr000368956

    18. Nsc 163983

    19. Unii-j043bci40z

    20. Einecs 255-622-7

    21. Opera_id_915

    22. N-(methylbenzoyl)glycine

    23. N-(methylbenzoyl)-glycine

    24. Toluric Acid, O-

    25. 2-methylhippuricacid

    26. Oprea1_321487

    27. N-(2-methylbenzoyl)-glycine

    28. 2-methylhippuric Acid, 98%

    29. Chembl457228

    30. Schembl1285567

    31. 2-(2-methylbenzamido)aceticacid

    32. Dtxsid60194818

    33. Hms1755d21

    34. Hms2688m04

    35. Zinc389513

    36. Mfcd00050991

    37. N-[(2-methylphenyl)carbonyl]glycine

    38. Nsc163983

    39. Stl483031

    40. Akos000264575

    41. [(2-methylbenzoyl)amino]acetic Acid #

    42. Cs-w015776

    43. Hy-w015060

    44. Ncgc00246096-01

    45. As-10313

    46. Db-025911

    47. Ft-0613051

    48. T0719

    49. D84129

    50. M-3778

    51. A825717

    52. Q22132784

    53. Z56983120

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 193.20 g/mol
    Molecular Formula C10H11NO3
    XLogP30.7
    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
    Complexity227
    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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