dextrothyroxine   Click here for help

GtoPdb Ligand ID: 6951

Synonyms: Choloxin® | D-T4 | D-thyroxine
Approved drug
dextrothyroxine is an approved drug (FDA (1967))
Compound class: Synthetic organic
Comment: The INN record for this compound and the US FDA approval, are for the sodium salt. This drug is the dextrorotary isomer of synthetic thyroxine and acts as an antihyperlipidemic.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 92.78
Molecular weight 776.69
XLogP 3.97
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
Isomeric SMILES OC(=O)[C@@H](Cc1cc(I)c(c(c1)I)Oc1cc(I)c(c(c1)I)O)N
InChI InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1
InChI Key XUIIKFGFIJCVMT-GFCCVEGCSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1967))
IUPAC Name Click here for help
(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
International Nonproprietary Names Click here for help
INN number INN
1112 dextrothyroxine sodium
Synonyms Click here for help
Choloxin® | D-T4 | D-thyroxine
Database Links Click here for help
CAS Registry No. 51-49-0
ChEBI CHEBI:30659
ChEMBL Ligand CHEMBL559
DrugBank Ligand DB00509
DrugCentral Ligand 846
GtoPdb PubChem SID 178103533
PubChem CID 8730
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Wikipedia Dextrothyroxine