bentiromide
4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
Molecular Identity
bentiromide
4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
PubChem CID: 6957673
Bentiromide is the dipeptide obtained by condensation of N-benzoyl-L-tyrosine with 4-aminobenzoic acid. Used as a noninvasive screening test for exocrine pancreatic insufficiency and to monitor the adequacy of supplemental pancreatic therapy, it is given by mouth: 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. It has a role as a diagnostic agent, a reagent and an indicator.
2D Structure
Properties
C23H20N2O5
Molecular Formula
404.40
Molecular Weight
g/mol
404.1372
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
116
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
588
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
bentiromide37106-97-1BtpabaChymexBentiromidumBentiromidoBtpaba PftBTPABA, PFTBTPABAPFTbentiromidaBTPABA-PFTE-2663N-Benzoyl-L-tyrosyl-p-aminobenzoic acidBenzoyltyrosyl-p-aminobenzoic acid239IF5W61J
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to bentiromide
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