Benzoic Acid Acyl-Beta-D-glucuronide

CAS: 19237-53-7

Ref. TR-B203930

Product Information

• Name: Benzoic Acid Acyl-Beta-D-glucuronide
• Synonyms: Benzoic Acid Acyl-ß-D-glucuronide, Glucopyranuronic Acid 1-Benzoate, ß-D-Glucopyranuronic Acid 1-Benzoate, Benzoic Acid glucuronide, Benzoic Acid ß-D-glucuronide, Benzoyl Glucuronide, Benzoyl-ß-D-glucuronide, 1-O-benzoyl-beta-D-glucopyranuronic acid, Benzoic acid glucuronide, Benzoic acid β-<span class="text-smallcaps">D</span>-glucuronide, Benzoyl-β-<span class="text-smallcaps">D</span>-glucuronide, Glucopyranuronic acid, 1-benzoate, Glucopyranuronic acid, 1-benzoate, β-<span class="text-smallcaps">D</span>-, Glucosiduronic acid, 1-benzoate, beta-D-Glucopyranuronic acid, 1-benzoate, β-<span class="text-smallcaps">D</span>-Glucopyranuronic acid, 1-benzoate

Description

Stability Hygroscopic
Applications Benzoic Acid Acyl-β-D-glucuronide is in the class of 1-β-D-Acyl glucuronides (βGAs) which are potentially highly reactive metabolites which are capable of binding to protein molecules and resulting in adverse drug reactions observed in medications.
References Baba, A. et al.: Chem. Res. Toxicol., 22, 158 (2009); McMahon, T. et al.: Drug. Metab. Disp., 17, 506 (1989)

• Brand: TRC

Chemical properties

• Molecular weight: 298.2455
• Formula: C₁₃H₁₄O₈
• Color/Form: Neat
• 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
• InChI key: InChIKey=SWZTYAVBMYWFGS-UHFFFAOYSA-N
• SMILES: CCCCCCCCc1ccc(CCC(N)(CO)CO)cc1.Cl