HuagongsheHuagongshe Chemistry Print Report · For research reference only
3,5-Diiodo-O-(4-methoxyphenyl)-L-tyrosine
Levothyroxine Impurity 50 · 3,5-diiodo-O'-methyl-L-thyronine · Levothyroxine Sodium Impurity 11 · Levothyroxine Related Compound 10 · 3,5-Diiod-O-(4-methoxyphenyl)-L-tyrosine · L-Tyrosine,3,5-diiodo-o-(4-Methoxyphenyl) · 3,5-diiodo-o-(4-Methoxyphenyl)-L-Tyrosine · 2-amino-3-(3,5-diiodo-4-(4-methoxyphenoxy)phenyl)propanoic acid
Identifiers & Physical Properties
| CAS No. | 94345-95-6 |
|---|---|
| Molecular formula | C16H15I2NO4 |
| Average molar mass | 539.1 g/mol |
| Monoisotopic mass | 538.90905396 g/mol |
| SMILES | COc1ccc(Oc2c(I)cc(C[C@H](N)C(=O)O)cc2I)cc1 |
| InChIKey | UBTILXPOSFIMMG-AWEZNQCLSA-N |
| PubChem CID | 15227800 |
| EC No. | 619-013-3 |
| DTXSID | DTXSID901270730 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 81.8 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 6 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 378 |
| Density | 1.98[at 20℃] |
| Vapor pressure | 0Pa at 25℃ |
| GHS pictogram | GHS08,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H317-H373 |
| GHS precautionary statements | P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P260, P261, P272, P280, P302+P352, P319, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | REACH registered substance: (2S)-2-amino-3-[3,5-diiodo-4-(4-methoxyphenoxy)phenyl]propanoic acid (EC: 619-013-3) |
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS08,GHS07 |
| GHS hazard statements | H317-H373 |
| REACH registrations | Active |
| GHS precautionary statements | P260-P314-P501-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501 |
Applications & Uses
Uses
(S)-2-Amino-3-(3,5-diiodo-4-(4-methoxyphenoxy)phenyl Propanoic Acid is a Levothyroxine impurity of Thyroxine (T425600), which is one of the thyroid hormones involved in the maintenance of metabolic homeostasis. Thyroxine is deiodinated in peripheral tissues to the active metabolite, liothyronine, which has been used to treat hyperlipidemia.