HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Formyl thyroxine
n formylt4 · N-ForMyl Thyroxine · Levothyroxine Impurity 1 · Levothyroxine impurity 8 · Levothyroxine Impurity 12 · Levothyroxine USP Impurity C · Levothyroxine N-Formyl Impurity · Levothyroxine Sodium Impurity C
Identifiers & Physical Properties
| CAS No. | 671235-41-9 |
|---|---|
| Molecular formula | C16H11I4NO5 |
| Average molar mass | 804.88 g/mol |
| Monoisotopic mass | 804.68161445 g/mol |
| SMILES | O=CN[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O |
| InChIKey | DNRNTTVIRGKKSQ-ZDUSSCGKSA-N |
| PubChem CID | 71316964 |
| DTXSID | DTXSID30217422 |
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 | 26 |
| Formal charge | 0 |
| Complexity | 475 |
| Melting point | >192°C (dec.) |
| Storage conditions | Hygroscopic, Refrigerator, under inert atmosphere |
| Solubility | DMSO (Slightly), Methanol (Slightly, Sonicated) |
| Physical state | Solid |
| Color | White to Off-White |
| FDA UNII | 4JQ6559BER |
Applications & Uses
Uses
N-Formyl Thyroxine (Levothyroxine N-Formyl Impurity; N-Formyl-T4 (USP)) is a thyroxine derivative which showed less thyroid activity than Thyroxine Sodium (T425601).