ChemicalBook--->CAS DataBase List--->107849-54-7

107849-54-7

107849-54-7 Structure

107849-54-7 Structure
IdentificationBack Directory
[Name]

β-Hydroxy Thyroxine
[CAS]

107849-54-7
[Synonyms]

β-Hydroxy Thyroxine
Thyroxine Impurity 1
Beta-Hydroxy Thyroxine
Levothyroxine Impurity 2
Levothyroxine Impurity 21
Thyroxine, β-hydroxy- (7CI)
Levothyroxine USP Impurity A
Levothyroxine beta-Hydroxy Impurity
β-[3,5-Diiodo-4-(3,5-diiodo-4-hydroxyphenoxy)phenyl]serine
[Molecular Formula]

C15H11I4NO5
[MOL File]

107849-54-7.mol
[Molecular Weight]

792.87
Chemical PropertiesBack Directory
[Melting point ]

>175°C (dec.)
[Boiling point ]

627.4±55.0 °C(Predicted)
[density ]

2.706±0.06 g/cm3(Predicted)
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

1.97±0.34(Predicted)
[color ]

White to Pale Beige
[InChI]

InChI=1/C15H11I4NO5/c16-7-3-6(4-8(17)13(7)22)25-14-9(18)1-5(2-10(14)19)12(21)11(20)15(23)24/h1-4,11-12,21-22H,20H2,(H,23,24)/t11-,12?/s3
[InChIKey]

QIFVILYTCIFAPL-BJWPUJNWNA-N
[SMILES]

c1(O)c(I)cc(Oc2c(I)cc(C(O)[C@@H](C(=O)O)N)cc2I)cc1I |&1:14,r|
Hazard InformationBack Directory
[Uses]

It has been prepared for testing as possible antithyroid. It showed some thyromimetic activity.
[Uses]

O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodo-b-hydroxy-L-tyrosine 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.
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