p-Cresol Glucuronide

• CAT Number: R018373
• CAS Number: 17680-99-8
• Molecular Formula: C13H16O7
• Molecular Weight: 284.264
• Purity: ≥95%
• Synonyms: 4-Methylphenyl β-D-Glucopyranosiduronic Acid; β-D-p-Tolyl-glucopyranosiduronic Acid; p-Tolyl-β-D-glucosiduronic Acid; 4-Cresol Glucuronide; p-Methylphenyl-β-D-glucopyranosiduronic Acid; p-Tolyl-β-glucuronic Acid
• Storage: -20°C
• IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methylphenoxy)oxane-2-carboxylic acid
• InChI: InChI=1S/C13H16O7/c1-6-2-4-7(5-3-6)19-13-10(16)8(14)9(15)11(20-13)12(17)18/h2-5,8-11,13-16H,1H3,(H,17,18)/t8-,9-,10+,11-,13+/m0/s1
• InChIKey: JPAUCQAJHLSMQW-XPORZQOISA-N
• SMILES: CC1=CC=C(C=C1)OC2C(C(C(C(O2)C(=O)O)O)O)O

p-Cresol Glucuronide (CAS 17680-99-8) is the labeled analogue of p-Cresol Glucuronide, which is a metabolite of o-Cresol.

Reference

1.Görge, G., J. B'eyer, and K. Urich. "Excretion and metabolism of phenol, 4-nitrophenol and 2-methylphenol by the frogs Rana temporaria and Xenopus laevis." Xenobiotica 17.11 (1987): 1293-1298.