Thyroxine 4’-O-Beta-D-Glucuronide

Analyte Name

Thyroxine 4'-O-beta-D-Glucuronide

CAS Number

21462-56-6

Molecular Formula

C21H19I4NO10

Molecular Weight

952.99

Accurate Mass

952.7188

SMILES

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)I)I)C[C@@H](C(=O)O)N

InChI

InChI=1S/C21H19I4NO10/c22-8-1-6(3-12(26)19(30)31)2-9(23)16(8)34-7-4-10(24)17(11(25)5-7)35-21-15(29)13(27)14(28)18(36-21)20(32)33/h1-2,4-5,12-15,18,21,27-29H,3,26H2,(H,30,31)(H,32,33)/t12-,13-,14-,15+,18-,21+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Levothyroxine

Purity

>95% (HPLC)