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CAS No 37106-97-1 , 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid

  • Name: 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
  • Synonyms: Bentiromido [INN-Spanish]; Bentiromidum [INN-Latin];Btpaba; Bentiromide [USAN:BAN:INN:JAN]; Chymex;4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid; bentiromide;
  • CAS Registry Number:
  • Flash Point: 435.9°C
  • Boiling Point: 797.1°Cat760mmHg
  • Density: 1.367g/cm3
  • Refractive index: 1.678
  • Safety Statements: Moderately toxic by intravenous and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
  • Flash Point: 435.9°C
  • EINECS: 253-349-8
  • Molecular Weight: 404.4153
  • InchiKey: SPPTWHFVYKCNNK-UHFFFAOYSA-N
  • 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)
  • Molecular Formula: C23H20N2O5
  • Molecular Structure:CAS No:37106-97-1 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid

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37106-97-1 07938 BZ-TYR-4-ABZ-OH

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References of 4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoic acid
Title: Bentiromide
CAS Registry Number: 37106-97-1
CAS Name: 4-[[(2S)-2-(Benzoylamino)-3-(4-hydroxyphenyl)-1-oxopropyl]amino]benzoic acid
Synonyms: (S)-p-(a-benzamido-p-hydroxyhydrocinnamamido)benzoic acid; N-benzoyl-L-tyrosyl-p-aminobenzoic acid; BTPABA
Manufacturers' Codes: E-2663
Trademarks: Chymex (Savage); PFT Roche (Roche)
Molecular Formula: C23H20N2O5
Molecular Weight: 404.42
Percent Composition: C 68.31%, H 4.98%, N 6.93%, O 19.78%
Literature References: Synthetic chymotrypsin-labile peptide, used in diagnosis of exocrine pancreatic disease. Prepn: P. L. De Benneville, N. J. Greenberger, DE 2156835; eidem, US 3801562 (1972, 1974 both to Rohm & Haas). Synthesis, in vitro and in vivo data: P. L. De Benneville et al., J. Med. Chem. 15, 1098 (1972). Early clinical studies: K. Gyr et al., Schweiz. Med. Wochenschr. 105, 1717 (1975); W. Bornschein et al., Clin. Chim. Acta 67, 21 (1976). Pediatric study: G. Dockter et al., Eur. J. Pediatr. 135, 277 (1981). Human toxicity study, effects of renal insufficiency on pancreatic function test: C. Lang et al., J. Clin. Chem. Clin. Biochem. 18, 551 (1980).
Properties: Cryst from methanol/water, mp 240-242°. [a]D25 +72.3° (c = 1 in DMF) (US 3801562); also reported as [a]D25 +87° (c = 1 in DMF) (De Benneville).
Melting point: mp 240-242°
Optical Rotation: [a]D25 +72.3° (c = 1 in DMF) (US 3801562); [a]D25 +87° (c = 1 in DMF) (De Benneville)
Therap-Cat: Diagnostic aid (pancreatic function).
Keywords: Diagnostic Aid.