HuagongsheHuagongshe Chemistry Print Report · For research reference only
Levothyroxine EP Impurity B
Levothyroxine Impurity B · Levothyroxine EP Impurity B · Levothyroxine Impurity-B (Crude) · Levothyroxine imp B (Mono chloro) · Monochlorotriiodothyronine (Impurity-B) · Levothyroxine EP Impurity-B (Mono chloro) · Levothyroxine?EP?Impurity?B (3-Chloro Thyroxine) · (S)-2-amino-3-(4-(3-chloro-4-hydroxy-5-iodophenoxy)

Identifiers & Physical Properties
| CAS No. | 1628720-66-0 |
|---|---|
| Molecular formula | C15H11ClI3NO4 |
| Average molar mass | 685.42 g/mol |
| SMILES | N[C@@H](Cc1cc(I)c(Oc2cc(Cl)c(O)c(I)c2)c(I)c1)C(=O)O |
| InChIKey | MQUDMFHNJQNOJT-LBPRGKRZSA-N |
Chemical & Physical Properties
| XLogP | 2.3 |
|---|---|
| Topological polar surface area | 92.8 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 435 |
| Boiling point | 567.9±50.0 °C(Predicted) |
| Density | 2.408±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 2.12±0.30(Predicted) |
Applications & Uses
Uses
3-Chloro Thyroxine is an impurity of Thyroxine (T425600(P)), which is one of the thyroid hormones involved in the maintenance of metabolic homeostasis.