Basic information
- CAS
17365-01-4- Standard SMILES
CCOC(=O)C(C)(N)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1- InChIKey
LWZCMKGGFONJPB-UHFFFAOYSA-N- Molecular formula
- C18H17I4NO4
- Average molar mass
- 818.9 g/mol
- Monoisotopic mass
- 818.7336
Overview
Etiroxate is an aromatic ether.
Names & identifiers
- Preferred name
- Etiroxate
- IUPAC
- ethyl 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoate
- English name
- ETIROXATE
- Molecular formula
- C18H17I4NO4
- Molecular weight
- 818.935
Names & synonyms
Etiroxate17365-01-4EtiroxatoEtiroxatum0S3LDN5P7HDL-alpha-methylthyroxine ethyl esteretiroxatRefChem:139256Etiroxate [INN]ethyl 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropanoateC18H17I4NO4Etiroxatum [INN-Latin]
Show more names
CG-63CG-635DL-a-Methyl-thyroxine Ethyl EsterDL-α-Methyl-thyroxine Ethyl EsterTyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-α-methyl-, ethyl esterO-(4-Hydroxy-3,5-diiodo-phenyl)-3,5-diiodo-α-methyl-DL-tyrosine Ethyl EsterO-(4-Hydroxy-3,5-diiodo-phenyl)-3,5-diiodo-a-methyl-DL-tyrosine Ethyl Ester(±)-2-Amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-2-methylpropionic acid ethyl ester
Etiroxato [INN-Spanish]UNII-0S3LDN5P7HETIROXATE [MI]ETIROXATE [WHO-DD]SCHEMBL554818orb1942332CHEMBL2104225DTXSID30864773
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Physicochemical properties
- Melting point
- 149 · 149-1510C
- Boiling point
- 563.7 · 563.7±50.0 °C(Predicted)
- Density
- 2.321 · 2.321±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO, Methanol
- form
- Solid
- pka
- 6.89 · 6.89±0.25(Predicted)
- color
- Tan
- FDA UNII
- 0 S3LDN5P7H · 0S3LDN5P7H
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Applications
UsesDerivative of thyroxine. Antilipemic.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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