Detrothyronine

Base Information

• Chemical Name: Detrothyronine
• CAS No.: 5714-08-9
• Molecular Formula: C15H12 I3 N O4
• Molecular Weight: 650.97
• European Community (EC) Number: 227-203-9
• NSC Number: 757435
• UNII: 46XII7C16X
• DSSTox Substance ID: DTXSID501016651
• Nikkaji Number: J8.056J
• Wikidata: Q27258967
• NCI Thesaurus Code: C166730
• Pharos Ligand ID: 3XYQDJX3LJF4
• ChEMBL ID: CHEMBL557
• Mol file: 5714-08-9.mol

Synonyms:Detrothyronine;DT-3;3,5,3'-Triiodo-D-thyronine;DEXTROTHYRONINE;Rathyronine, (r)-;5714-08-9;Detrothyronine [INN];CHEMBL557;46XII7C16X;327-86-6;(2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid;(+)-Triiodothyronine;Detrothyronin;3,3',5-Triiodo-D-thyronine;D-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-;D-3-(4-(4-Hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-alanine;Alanine, 3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-, D-;NSC-46046;Dextro-3:5:3'-triiodothyronine;Detrothyroninum;Detrotironina;(2S)-2-azaniumyl-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate;D-Trijodthyronin;Triiodothyronine, D-;liothyronine-(isomer);D0I2GK;SCHEMBL8301;UNII-46XII7C16X;Detrothyroninum [INN-Latin];Detrotironina [INN-Spanish];Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-;D-3,5,3'-Triiodothyronine;DT3 (VAN);DETROTHYRONINE [MART.];DTXSID501016651;HMS2092K14;Pharmakon1600-01500778;SKF D 2623;EINECS 227-203-9;BDBM50178971;NSC 46046;NSC757435;CCG-212884;NSC-757435;CAS-1823692;NCGC00016993-01;NCGC00021140-01;SBI-0206705.P001;AB01562945_01;BRD-K46428823-001-01-7;Q27258967;D-3-(4-(-Hydroxy-3-iodphenoxy)-3,5-diiodphenyl)alanin;D-Alanine, 3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)-;(R)-2-Amino-3-(4-(4-hydroxy-3-iodphenoxy)-3,5-diiodphenyl)propionsaeure;(R)-2-amino-3-(4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl)propanoic acid;(R)-2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid;2-Amino-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]-propionic acid

Chemical Property of Detrothyronine

Chemical Property:

• Boiling Point: 563.5±50.0 °C(Predicted)
• PKA: 2.13±0.30(Predicted)
• Flash Point: 294.6oC
• PSA: 92.78000
• Density: 2.387±0.06 g/cm3(Predicted)
• LogP: 4.65300
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 650.7901
• Heavy Atom Count: 23
• Complexity: 402

Purity/Quality:

99%, ^*data from raw suppliers

3,3’,5-Triiodo-D-thyronine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
• Isomeric SMILES: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@H](C(=O)O)N)I)I)O
• Uses: 3,3’,5-Triiodo-D-thyronine is a structural analogue o the thyroid homonef Thyroxine. 3,3’,5-Triiodo-D-thyronine has been shown to reduce cholesterol in blood serum. 3,3’,5-Triiodo-D-thyronine is a structural analogue o the thyroid homonef Thyroxine (T425600). 3,3’,5-Triiodo-D-thyronine has been shown to reduce cholesterol in blood serum.