Triiodothyronine glucuronide

CAS Registry Number®

29919-72-0
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CAS Name

Triiodothyronine glucuronide

Molecular Formula

C21H20I3NO10

Molecular Mass

827.10

Cite this Page

Triiodothyronine glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29919-72-0 (retrieved 2024-06-23) (CAS RN: 29919-72-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20I3NO10/c22-9-6-8(33-17-10(23)3-7(4-11(17)24)5-12(25)19(29)30)1-2-13(9)34-21-16(28)14(26)15(27)18(35-21)20(31)32/h1-4,6,12,14-16,18,21,26-28H,5,25H2,(H,29,30)(H,31,32)/t12-,14-,15-,16+,18-,21+/m0/s1

InChIKey

InChIKey=YYFGGGCINNGOLE-ZDXOGFQLSA-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=C2

Canonical SMILES

O=C(O)C1OC(OC2=CC=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-iodophenyl
  • Glucopyranosiduronic acid, 4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenyl, L-β-D-
  • β-D-Glucopyranosiduronic acid, 4-[4-(2-amino-2-carboxyethyl)-2,6-diiodophenoxy]-2-iodophenyl, (S)-
  • Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, glucuronide
  • Alanine, 3-[4-[4-(β-D-glucopyranuronosyloxy)-3-iodophenoxy]-3,5-diiodophenyl]-, L-

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Deleted or Replaced CAS Registry Numbers

101149-16-0, 30329-14-7

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