Benzoic Acid Acyl-β-D-glucuronide

• CAT Number: R014677
• CAS Number: 19237-53-7
• Molecular Formula: C13H14O8
• Molecular Weight: 298.247
• Purity: ≥95%
• Synonyms: Glucopyranuronic Acid 1-Benzoate; β-D-Glucopyranuronic Acid 1-Benzoate;?Benzoic Acid glucuronide; Benzoic Acid β-D-glucuronide; Benzoyl Glucuronide; Benzoyl-β-D-glucuronide
• Storage: Desiccate at RT
• IUPAC Name: (2S,3S,4S,5R,6S)-6-benzoyloxy-3,4,5-trihydroxyoxane-2-carboxylic acid
• InChI: InChI=1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1
• InChIKey: NLOPFVNXNMEEDI-UNLLLRGISA-N
• SMILES: C1=CC=C(C=C1)C(=O)OC2C(C(C(C(O2)C(=O)O)O)O)O

Benzoic Acid Acyl-β-D-glucuronide is a metabolite of benzoic acid used in pharmaceutical and biochemical research. It is significant for studying drug metabolism and detoxification processes involving glucuronidation. This compound aids in understanding the metabolic pathways of xenobiotics and endogenous substances, ensuring precise and reliable results in advanced pharmacokinetics and toxicology studies.