Thyroxine glucuronide

CAS Registry Number®

21462-56-6
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CAS Name

Thyroxine glucuronide

Molecular Formula

C21H19I4NO10

Molecular Mass

952.99

Cite this Page

Thyroxine glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=21462-56-6 (retrieved 2024-04-30) (CAS RN: 21462-56-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=RGHRJBIKIYUHEV-OBOXGAGSSA-N

SMILES

O([C@@H]1O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]1O)C2=C(I)C=C(OC3=C(I)C=C(C[C@@H](C(O)=O)N)C=C3I)C=C2I

Canonical SMILES

O=C(O)C1OC(OC2=C(I)C=C(OC3=C(I)C=C(C=C3I)CC(N)C(=O)O)C=C2I)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-[4-[(2S)-2-amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenyl
  • Glucopyranosiduronic acid, 4-[4-(L-2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenyl, β-D-
  • β-D-Glucopyranosiduronic acid, 4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2,6-diiodophenyl, (S)-
  • 4-[4-[(2S)-2-Amino-2-carboxyethyl]-2,6-diiodophenoxy]-2,6-diiodophenyl β-D-glucopyranosiduronic acid
  • Thyroxine glucuronide

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Deleted or Replaced CAS Registry Numbers

17656-98-3, 21062-83-9, 29660-85-3

CAS INSIGHTSTM
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