HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Acetylthyroxine
N-Acetyl-T4 · N-Acetylthyroxine · Levothyroxine?USB E · N-Acetyl L-Thyroxine · N-Acetyl L-Thyroxine(>90%) · Levothyroxine Sodium Impurity E · Levothyroxine N-Acetyl Impurity · Levothyroxine Related Compound 5
Identifiers & Physical Properties
| CAS No. | 26041-51-0 |
|---|---|
| Molecular formula | C17H13I4NO5 |
| Average molar mass | 818.91 g/mol |
| Monoisotopic mass | 818.6973 g/mol |
| SMILES | CC(=O)N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O |
| InChIKey | NERGVJCCFAPEMR-AWEZNQCLSA-N |
| PubChem CID | 20638380 |
Chemical & Physical Properties
| XLogP | 4.9 |
|---|---|
| Topological polar surface area | 95.9 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 515 |
| Melting point | 210-215 °C (decomp) |
| Boiling point | 671.8±55.0 °C(Predicted) |
| Density | 2.481±0.06 g/cm3(Predicted) |
| Storage conditions | Refrigerator |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Solid |
| pKa (acidity coefficient) | 2.95±0.10(Predicted) |
| Color | White to Off-White |
| FDA UNII | G10YJB626N |
Applications & Uses
Uses
N-Acetyl L-Thyroxine is the Thyroxine (T425600) analogue, a thyroid hormone for use in diagnosing and treating diabetes.