Bentiromide

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Bentiromide
IUPAC name 4-[2-benzamido-3- (4-hydroxyphenyl)- propanoyl] aminobenzoic acid
Other names (S)-4-((2-(benzoylamino)-3-(4-hydroxyphenyl) -1-oxopropyl)amino)benzoic acid
(S)-p-(α-benzamido-p-hydroxyhydrocinnamamido) benzoic acid
BRN 2910938
Benzoyltyrosyl-p-aminobenzoic acid (Btpaba)
C12779
CHEMBANK2959
Chymex
D01346
N-benzoyl-L-tyrosyl-p-aminobenzoic acid
P-((N-benzoyl-L-tyrosin)amido)benzoic acid
PFD
PFT
Ro 11-7891
Identifiers
Abbreviations Btpaba
CAS number [37106-97-1]
PubChem 2329
EINECS number 253-349-8
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
InChI 1/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)/f/h24-25,29H
Properties
Molecular formula C23H20N2O5
Molar mass 404.415
Pharmacology
ATC code V04CK03
DrugBank APRD00818
Supplementary data page
Structure and
properties
n, εr, etc.
Thermodynamic
data
Phase behaviour
Solid, liquid, gas
Spectral data UV, IR, NMR, MS
Except where noted otherwise, data are given for
materials in their standard state
(at 25 °C, 100 kPa)

Infobox disclaimer and references

Bentiromide is a peptide used as a screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy. It is given by mouth as a noninvasive test. The amount of 4-aminobenzoic acid and its metabolites excreted in the urine is taken as a measure of the chymotrypsin-secreting activity of the pancreas. Headache and gastrointestinal disturbances have been reported in patients taking bentiromide. Bentiromide is not available in the U.S. or Canada (It was withdrawn in the US in October 1996.)

[edit] Data

  • XLogP=3.201
  • tautomers=12
  • H_bond_donor=4
  • H_bond_acceptor=5

[edit] See also