Structure

InChI Key SBXXSUDPJJJJLC-YDALLXLXSA-M
Smiles N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-].[Na+]
InChI
InChI=1S/C15H12I3NO4.Na/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;/h1-4,6,12,20H,5,19H2,(H,21,22);/q;+1/p-1/t12-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11I3NNaO4
Molecular Weight 672.96
AlogP 3.95
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 23.0

Metabolites Network

visNetwork

Pharmacology

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

Cross References

Resources Reference
ChEBI 6484
ChEMBL CHEMBL1201119
FDA SRS GCA9VV7D2N
PubChem 23666110
SureChEMBL SCHEMBL41654