Bentiromide

CAT: 0127-BUP14407-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP14407-01Size:5 mg

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CAS Number

37106-97-1

Purity

=98%

Smiles

OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2ccccc2)cc1

Chemical Information

Bentiromide

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.

CAS Number	37106-97-1
PubChem CID	6957673
IUPAC Name	4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
Molecular Formula	C23H20N2O5
Molecular Weight	404.4
XLogP	3.3
Topological Polar Surface Area	116
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	30
Formal Charge	0
Complexity	588

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

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

InChIKey

SPPTWHFVYKCNNK-FQEVSTJZSA-N

Chemical Structure

2D Structure

CAS: 37106-97-1

CID: 6957673

Formula: C23H20N2O5

MW: 404.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	404.4
XLogP3	3.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	404.13722174
Monoisotopic Mass	404.13722174
Topological Polar Surface Area	116 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	588
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-B1493-01	Bentiromide
MBS5802175	Bentiromide acetate
HY-B1493R	Bentiromide (Standard)
A17390-10	Bentiromide 10mg
A17390-100	Bentiromide 100mg
A17390-50	Bentiromide 50mg
A17390-5	Bentiromide 5mg
TRC-B130465-50MG	Bentiromide Sodium Salt
A17390-10mM-D	Bentiromide 10mM * 1mL in DMSO

Bentiromide

Chemical Information

Alternative Products

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