levothyroxine N-methylamide
Liothyronine Impurity 13 · L-Thyroxine-N-methylamide · Levothyroxine Impurity 49 · N-Methylamide Levothyroxine · Levothyroxine USP Impurity b · N-Methylamide Levothyroxine HCl · Levothyroxine N-Methylamide (USP) · Levothyroxine Methyl Amide Impurity
Identifiers & Physical Properties
| CAS No. | 2088032-52-2 |
|---|---|
| Molecular formula | C16H14I4N2O3 |
| Average molar mass | 789.91 g/mol |
| SMILES | CNC(=O)[C@@H](N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1 |
| InChIKey | KRYBBJJOQJVIIZ-ZDUSSCGKSA-N |
Chemical & Physical Properties
| XLogP | 4.4 |
|---|---|
| Topological polar surface area | 84.6 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 435 |
| Boiling point | 623.2±55.0 °C(Predicted) |
| Density | 2.448±0.06 g/cm3(Predicted) |
| Storage conditions | -20°C |
| Solubility | DMF: 10 mg/ml,DMSO: 10 mg/ml,Ethanol: Slightly soluble,PBS (pH 7.2): 0.20 mg/ml |
| Physical state | A solid |
| pKa (acidity coefficient) | 6.90±0.25(Predicted) |
Applications & Uses
Uses
(S)-2-Amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)-N-methylpropanamide is an impurity of levothyroxine. Levothyroxine is an impurity of Thyroxine (T425600), one of the thyroid hormones involved in the maintenance of metabolic homeostasis, synthesized and stored as amino acid residues of thyroglobulin, the major protein component of the thyroid follicular colloid. Synthesis and secretion are regulated by the pituitary hormone (TSH). Deiodinated in peripheral tissues to the active metabolite, liothyronine.