1.0 2016-05-25 18:20:52 UTC 2026-05-14 16:40:48 UTC Dextrothyroxine SmallMolecule Dextrothyroxine is an organic compound with the chemical formula C15H11I4NO4. Dextrothyroxine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 776.87 g/mol, Dextrothyroxine is a heavy molecule. The compound is identified as an agonist of three specific protein targets: Thyroid peroxidase (TPO), Thyroid hormone receptor alpha (THRA), and Thyroid hormone receptor beta (THRB). Regarding its occurrence, Dextrothyroxine is found in or released from three recorded sources. These include antennas within electrical and electronic equipment, ceilings in building and construction, and lipid modifying agents within healthcare, pharmaceuticals, and veterinary products. The recorded exposure route for this compound is oral. C15H11I4NO4 776.87 776.686681525 (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid dextrothyroxine 51-49-0 N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O InChI=1S/C15H11I4NO4/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)/t12-/m1/s1 XUIIKFGFIJCVMT-GFCCVEGCSA-N Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Phenylalanine and derivatives Amino acids Amphetamines and derivatives Aralkylamines Aryl iodides Carbonyl compounds Carboxylic acids D-alpha-amino acids Diarylethers Diphenylethers Hydrocarbon derivatives Iodobenzenes Monoalkylamines Monocarboxylic acids and derivatives O-iodophenols Organic oxides Organoiodides Organopnictogen compounds Phenol ethers Phenoxy compounds Phenylpropanoic acids 2-halophenol 2-iodophenol 3-phenylpropanoic-acid Alpha-amino acid Amine Amino acid Amphetamine or derivatives Aralkylamine Aromatic homomonocyclic compound Aryl halide Aryl iodide Benzenoid Carbonyl group Carboxylic acid D-alpha-amino acid Diaryl ether Diphenylether Ether Halobenzene Hydrocarbon derivative Iodobenzene Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organohalogen compound Organoiodide Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenol ether Phenoxy compound Phenylalanine or derivatives Primary aliphatic amine Primary amine Aromatic homomonocyclic compounds D-tyrosine derivative thyroxine Detected and Not Quantified Dextrothyroxine Drug Metabolism Action Pathway SMP0142961 logp 3.73 logp 1.15 ALOGPS logs -4.94 ALOGPS solubility 8.98e-03 g/l ALOGPS logp 3.73 ChemAxon pka_strongest_acidic 0.27 ChemAxon pka_strongest_basic 9.43 ChemAxon iupac (2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid ChemAxon average_mass 776.87 ChemAxon mono_mass 776.686681525 ChemAxon smiles N[C@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O ChemAxon formula C15H11I4NO4 ChemAxon inchi InChI=1S/C15H11I4NO4/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)/t12-/m1/s1 ChemAxon inchikey XUIIKFGFIJCVMT-GFCCVEGCSA-N ChemAxon polar_surface_area 92.78 ChemAxon refractivity 126.79 ChemAxon polarizability 49.31 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7267507270> DB00509 90657408 8402 BE0000687 BE0000315 BE0000507