Bisphenol A-d6 β-D-Glucuronide

CAS: 1610029-53-2

Ref. TR-B519512

Product Information

• Name: Bisphenol A-d6 β-D-Glucuronide
• Synonyms: β-D-Glucopyranosiduronic acid, 4-[1-(4-hydroxyphenyl)-1-(methyl-d3)ethyl-2,2,2-d3]phenyl, 4-[1-(4-Hydroxyphenyl)-1-(methyl-d3)ethyl-2,2,2-d3]phenyl β-D-glucopyranosiduronic acid, Bisphenol A β-D-Glucuronide (dimethyl-D6), Bisphenol A β-D-Monoglucuronide (dimethyl-D6)
• Brand: TRC
• Description: Stability HygroscopicApplications A labelled metabolite of Bisphenol A.References Zalko, D., et al.: Drug Metab. Dispos., 26, 28 (1998), Matthews, J., et al.: Chem. Res. Toxico., 14, 149 (2001), Kinjo, J., et al.: Biol. Pharm. Bull., 27, 185 (2004), Murata, M., et al.: Biochemistry, 43, 2569 (2004),

Chemical properties

• Molecular weight: 410.45
• Formula: C₂₁₂H₆H₁₈O₈
• Color/Form: Light Grey
• InChI: InChI=1S/C21H24O8/c1-21(2,11-3-7-13(22)8-4-11)12-5-9-14(10-6-12)28-20-17(25)15(23)16(24)18(29-20)19(26)27/h3-10,15-18,20,22-25H,1-2H3,(H,26,27)/t15-,16-,17+,18-,20+/m0/s1/i1D3,2D3
• InChI key: InChIKey=KHZOXXYQSBJDHB-LZDRGMMYSA-N
• SMILES: [2H]C([2H])([2H])C(c1ccc(O)cc1)(c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)C([2H])([2H])[2H]