3-(Benzyloxy)-hippuric Acid Benzyl Ester-13C2,15N

CAS: 102592-80-3

Ref. TR-B287307

Product Information

• Name: 3-(Benzyloxy)-hippuric Acid Benzyl Ester-13C2,15N
• Synonyms: benzyl 2-[(3-phenylmethoxybenzoyl)(15N)amino]acetate
• Brand: TRC

Description

Applications 3-​(Benzyloxy)​-hippuric Acid Benzyl Ester is an intermediate during the synthesis of m-Hydroxyhippuric Acid-13C2, 15N (H943127), a labelled m-Hydroxyhippuric Acid (H943125) which is a metabolite of caffeic and chlorogenic acids in human.
References Booth, A., et al.: J. Biol. Chem., 229, 51 (1957); Gonthier, M., et al.: Biomed. Pharmacother., 60, 536 (2006)

Chemical properties

• Molecular weight: 378.396
• Formula: C₂C₂₁H₂₁₁₅NO₄
• Color/Form: Neat
• InChI: InChI=1S/C23H21NO4/c25-22(28-17-19-10-5-2-6-11-19)15-24-23(26)20-12-7-13-21(14-20)27-16-18-8-3-1-4-9-18/h1-14H,15-17H2,(H,24,26)/i15+1,22+1,24+1
• InChI key: InChIKey=NKZKFFMHNFNFSH-TYWPRTSLSA-N
• SMILES: O=C([15NH][13CH2][13C](=O)OCc1ccccc1)c1cccc(OCc2ccccc2)c1