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    CAS 4271-30-1

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 4271-30-1, (s)-2-(4-aminobenzamido)pentanedioic acid, 4-aminobenzoylglutamic acid, N-(p-aminobenzoyl)glutamic acid, P-aminobenzoylglutamic acid, P-aminobenzoyl-l-glutamic acid
    Molecular Formula
    C12H14N2O5
    Molecular Weight
    266.25  g/mol
    InChI Key
    GADGMZDHLQLZRI-VIFPVBQESA-N
    FDA UNII
    9BKY99A8HJ
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-[(4-aminobenzoyl)amino]pentanedioic acid
    2.1.2 InChI
    InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
    2.1.3 InChI Key
    GADGMZDHLQLZRI-VIFPVBQESA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N
    2.1.5 Isomeric SMILES
    C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    9BKY99A8HJ
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-aminobenzoylglutamic Acid

    2. 4-aminobenzoylglutamic Acid, (d)-isomer

    3. 4-aminobenzoylglutamic Acid, (l)-isomer Ion

    4. Glutamyl-p-aminobenzoic Acid

    5. N-(p-aminobenzoyl)glutamic Acid

    6. P-aminobenzoylglutamate

    7. P-aminobenzoylglutamic Acid

    8. Pabga

    9. Para-aminobenzoylglutamic Acid

    2.3.2 Depositor-Supplied Synonyms

    1. 4271-30-1

    2. (s)-2-(4-aminobenzamido)pentanedioic Acid

    3. 4-aminobenzoylglutamic Acid

    4. N-(p-aminobenzoyl)glutamic Acid

    5. P-aminobenzoylglutamic Acid

    6. P-aminobenzoyl-l-glutamic Acid

    7. H-4-abz-glu-oh

    8. (2s)-2-[(4-aminobenzoyl)amino]pentanedioic Acid

    9. L-n-(p-aminobenzoyl)glutamic Acid

    10. L-glutamic Acid, N-(4-aminobenzoyl)-

    11. Chebi:61114

    12. (4-aminobenzoyl)-l-glutamic Acid

    13. N-(p-aminobenzoyl)-l-glutamic Acid

    14. 9bky99a8hj

    15. 532-63-8

    16. Chembl3278332

    17. Folic Acid Impurity A

    18. N-(4-aminobenzene-1-carbonyl)-l-glutamic Acid

    19. 4-aminobenzoic Glutamic Acid

    20. (2s)-2-[(4-aminobenzoyl)amino]pentanedioic Acid (n-(4-aminobenzoyl)-l-glutamic Acid)

    21. Unii-9bky99a8hj

    22. N-(4-aminobenzoyl)glutamic Acid

    23. Mfcd00042821

    24. Nsc-71042

    25. N-4-aminobenzoyl-l-glutamic Acid

    26. Einecs 224-261-7

    27. Nsc 71042

    28. N-(p-aminobenzoyl)glutamic Acid (van)

    29. 4-aminobenzoylglutamate

    30. Methotrexate Impurity K

    31. Glutamic Acid, N-(p-aminobenzoyl)-, L-

    32. Schembl63083

    33. 4-aminobenzoyl-l-glutamic Acid

    34. Dtxsid10873641

    35. Bcp15199

    36. Zinc1696610

    37. Bdbm50542900

    38. Akos010366208

    39. Akos015855631

    40. Cs-w012429

    41. Hy-w011713

    42. (p-aminobenzoyl)-l-glutamic Acid

    43. Aminobenzoyl-l-glutamic Acid, P-

    44. 4-aminobenzoylglutamic Acid [dsc]

    45. Ds-15609

    46. (-)-n-(p-aminobenzoyl)glutamic Acid

    47. 4-aminobenzoylglutamic Acid [usp-rs]

    48. A0442

    49. Am20060626

    50. Methotrexate Impurity K [ep Impurity]

    51. A-5000

    52. 271a301

    53. A825991

    54. Calcium Folinate Impurity A [ep Impurity]

    55. N-(4-aminobenzoyl)-l-glutamic Acid [mi]

    56. (2s)-2-[(4-aminophenyl)formamido]pentanedioic Acid

    57. N-(4-aminobenzoyl)-l-glutamic Acid, >=98% (tlc)

    58. Q27130821

    59. (2s)-2((4-aminobenzoyl)amino)pentanedioic Acid

    60. Folic Acid Impurity A, European Pharmacopoeia (ep) Reference Standard

    61. 4-aminobenzoylglutamic Acid, United States Pharmacopeia (usp) Reference Standard

    62. N-(4-aminobenzoyl)-l-glutamic Acid (folic Acid Imp A), Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-08-09
    3 Chemical and Physical Properties
    Molecular Weight 266.25 g/mol
    Molecular Formula C12H14N2O5
    XLogP30
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass266.09027155 g/mol
    Monoisotopic Mass266.09027155 g/mol
    Topological Polar Surface Area130 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity350
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1