Structure

InChI Key ANMYAHDLKVNJJO-LTCKWSDVSA-M
Smiles N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-].O.[Na+]
InChI
InChI=1S/C15H11I4NO4.Na.H2O/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;;/h1-2,4-5,12,21H,3,20H2,(H,22,23);;1H2/q;+1;/p-1/t12-;;/m0../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H12I4NNaO5
Molecular Weight 816.87
AlogP 4.56
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 92.78
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Thyroid hormone receptor agonist AGONIST Wikipedia Wikipedia FDA

Cross References

Resources Reference
CAS NUMBER 6106-07-6
ChEBI 6447
ChEMBL CHEMBL2103741
FDA SRS 9J765S329G
SureChEMBL SCHEMBL2327406