N-(Trifluoroacetyl)-thyroxine-13C6 4’-O-β-D-Glucuronide Triacetate Dimethyl Ester

Ref. TR-T426507

Product Information

• Name: N-(Trifluoroacetyl)-thyroxine-13C6 4’-O-β-D-Glucuronide Triacetate Dimethyl Ester
• Synonyms: (2S,3R,4S,5S,6S)-2-(4-(2,6-diiodo-4-((S)-3-methoxy-3-oxo-2-(2,2,2-trifluoroacetamido)propyl)phenoxy)-2,6-diiodophenoxy-1,2,3,4,5,6-13C6)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
• Brand: TRC
• Description: Applications N-(Trifluoroacetyl)-thyroxine-13C6 4’-O-β-D-Glucuronide Triacetate Dimethyl Ester is an intermediate in the synthesis of Thyroxine-13C6 4’-O-β-D-Glucuronide Disodium Salt, which is labelled Thyroxine 4’-O-β-D-Glucuronide (T425630), a major metabolite and glucuronide conjugate of Thyroxine (T425600) formed via the glucuronidation of the phenyl hydroxyl group.References Tong, Z. et al.: Drug Metab. Dispos., 35, 2203 (2007); West, C.D. et al.: J. Clin. INvest., 42, 1134 (1963)

Chemical properties

• Molecular weight: 1209.12
• Formula: C₂₅C₆H₂₈F₃I₄NO₁₄
• Color/Form: Neat
• InChI: InChI=1S/C31H28F3I4NO14/c1-11(40)48-23-24(49-12(2)41)26(50-13(3)42)29(53-25(23)28(44)47-5)52-22-18(37)9-15(10-19(22)38)51-21-16(35)6-14(7-17(21)36)8-20(27(43)46-4)39-30(45)31(32,33)34/h6-7,9-10,20,23-26,29H,8H2,1-5H3,(H,39,45)/t20-,23?,24?,25?,26?,29+/m0/s1/i9+1,10+1,15+1,18+1,19+1,22+1
• InChI key: InChIKey=XZEJMVDCQZRHLN-UHFFFAOYSA-N
• SMILES: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21