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    Bentiromide

    ACTIVE PHARMA INGREDIENTS

    INTERMEDIATES

    FINISHED DOSAGE FORMULATIONS

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    2D Structure
    Also known as: 37106-97-1, Btpaba, Chymex, Bz-tyr-4-abz-oh, Bentiromido, Bentiromidum
    Molecular Formula
    C23H20N2O5
    Molecular Weight
    404.4  g/mol
    InChI Key
    SPPTWHFVYKCNNK-FQEVSTJZSA-N
    FDA UNII
    239IF5W61J
    Bentiromide is a dipeptide that is used in the bentiromide test, which is a screening test for evaluating pancreatic exocrine function and monitoring the adequacy of supplemental pancreatic therapy. It is typically administered orally. Cases of headache and gastrointestinal disturbances have been reported with the use of bentiromide. Bentiromide is currently not available in the U.S. or Canada.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
    2.1.2 InChI
    InChI=1S/C23H20N2O5/c26-19-12-6-15(7-13-19)14-20(25-21(27)16-4-2-1-3-5-16)22(28)24-18-10-8-17(9-11-18)23(29)30/h1-13,20,26H,14H2,(H,24,28)(H,25,27)(H,29,30)/t20-/m0/s1
    2.1.3 InChI Key
    SPPTWHFVYKCNNK-FQEVSTJZSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)C(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    239IF5W61J
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. Benzoyl-tyrosyl-paba

    2. N-benzoyl-l-tyrosyl-p-aminobenzoic Acid

    3. N-benzoyl-l-tyrosyl-paba

    4. Paba-peptide

    2.3.2 Depositor-Supplied Synonyms

    1. 37106-97-1

    2. Btpaba

    3. Chymex

    4. Bz-tyr-4-abz-oh

    5. Bentiromido

    6. Bentiromidum

    7. Btpaba, Pft

    8. Btpaba Pft

    9. Bentiromidum [inn-latin]

    10. Bentiromido [inn-spanish]

    11. Btpabapft

    12. Btpaba-pft

    13. Benzoyltyrosyl-p-aminobenzoic Acid

    14. E-2663

    15. Pft

    16. Chebi:31263

    17. 239if5w61j

    18. N-benzoyl-l-tyrosyl-p-aminobenzoic Acid

    19. (s)-p-(alpha-benzamido-p-hydroxyhydrocinnamamido)benzoic Acid

    20. 4-(n-benzoyl-l-tyrosyl)aminobenzoic Acid

    21. 4-[[(2s)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic Acid

    22. (s)-4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic Acid

    23. 4-[(2s)-3-(4-hydroxyphenyl)-2-(phenylformamido)propanamido]benzoic Acid

    24. Benzoic Acid, 4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)-, (s)-

    25. P-((n-benzoyl-l-tyrosin)amido)benzoic Acid

    26. Brn 2910938

    27. Ro 11-7891

    28. Unii-239if5w61j

    29. 4-((2-(benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl)amino)benzoic Acid

    30. Bentiromide [usan:ban:inn:jan]

    31. Bentiromide [usan:inn:ban:jan]

    32. Einecs 253-349-8

    33. Bt-paba

    34. Bentiromide [mi]

    35. Bentiromide [inn]

    36. Bentiromide [jan]

    37. Bentiromide [usan]

    38. Bentiromide [vandf]

    39. E 2663

    40. Bentiromide [mart.]

    41. Bentiromide [who-dd]

    42. (s)-p-(.alpha.-benzamido-p-hydroxyhydrocinnamamido)benzoic Acid

    43. Schembl151634

    44. Chembl1200368

    45. Dtxsid2048377

    46. Bentiromide [orange Book]

    47. Zinc608204

    48. Hy-b1493

    49. N-benzoyl-l-tyrosyl-p-aminobenzoate

    50. Mfcd00055768

    51. S4388

    52. Ccg-268691

    53. Db00522

    54. 4-(n-benzoyl-l-tyrosyl)aminobenzoicacid

    55. 4-(n-benzoyl-l-tyrosylamino)benzoic Acid

    56. 4-[(n-benzoyl-l-tyrosyl)amino]benzoic Acid

    57. Cs-0013190

    58. Sw219774-1

    59. Ab01566933_01

    60. 106b971

    61. Q793082

    62. Sr-01000883958

    63. Sr-01000883958-1

    64. (s)-4-(2-benzamido-3-(4-hydroxyphenyl)propanamido)benzoic Acid

    65. (4-[[(2s)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic Acid

    2.4 Create Date
    2006-07-28
    3 Chemical and Physical Properties
    Molecular Weight 404.4 g/mol
    Molecular Formula C23H20N2O5
    XLogP33.3
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass404.13722174 g/mol
    Monoisotopic Mass404.13722174 g/mol
    Topological Polar Surface Area116 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity588
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Drug and Medication Information
    4.1 Drug Indication

    Indicated as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy.

    5 Pharmacology and Biochemistry
    5.1 Pharmacology

    Bentiromide is a peptide used as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy. The amount of p-aminobenzoic acid and its metabolites excreted in the urine is the quantitative measure of the chymotrypsin-secreting activity of the pancreas.

    5.2 MeSH Pharmacological Classification

    Indicators and Reagents

    Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant and Hackh's Chemical Dictionary, 5th ed, p301, p499) (See all compounds classified as Indicators and Reagents.)

    5.3 ATC Code

    V - Various

    V04 - Diagnostic agents

    V04C - Other diagnostic agents

    V04CK - Tests for pancreatic function

    V04CK03 - Bentiromide

    5.4 Metabolism/Metabolites

    Primarily hepatic. Enzymatic activity capable of hydrolyzing bentiromide has also been found in normal small intestine.

    5.5 Mechanism of Action

    Bentiromide is a peptide that is broken down in the pancreas by chymotrypsin. By determining the output of unchanged bentiromide in the urine following oral administration, it is possible to determine the sufficiency of pancreatic activity.