Molecular Identity
Thyroxine
(2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
PubChem CID: 5819
L-thyroxine is the L-enantiomer of thyroxine. It has a role as an antithyroid drug, a thyroid hormone, a mouse metabolite and a human metabolite. It is an iodophenol, a thyroxine, a 2-halophenol, a non-proteinogenic L-alpha-amino acid and a L-phenylalanine derivative. It is a conjugate acid of a L-thyroxine(1-). It is an enantiomer of a D-thyroxine. It is a tautomer of a L-thyroxine zwitterion.
2D Structure
Properties
C15H11I4NO4
Molecular Formula
776.87
Molecular Weight
g/mol
776.6867
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
92.8
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
5
H-Bond Acceptors
420
Complexity
SMILES
Canonical SMILES
SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)NIsomeric SMILES
SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)NSynonyms(20)
thyroxinethyroxinL Thyroxin betaL ThyroxL Thyroxine RocheL Thyroxin HenningLevothyroxin DelalandeRefChem:5946L-3,5,5'-tetraiodothyronine2-amino-3-(4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)propanoic acidTyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-thyroxinelevothyroxine51-48-9Tetraiodothyronine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Thyroxine
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