Thyroxine I 131

Base Information

• Chemical Name: Thyroxine I 131
• CAS No.: 7019-69-4
• Deprecated CAS: 7525-17-9,20196-65-0
• Molecular Formula: C15H11I4NO4
• Molecular Weight: 797.05002
• UNII: 66847MKV84
• DSSTox Substance ID: DTXSID40220462
• Nikkaji Number: J9.820E
• Wikidata: Q27263976
• NCI Thesaurus Code: C152596
• ChEMBL ID: CHEMBL3989736
• Mol file: 7019-69-4.mol

Synonyms:Thyroxine I 131;THYROXINE I-131;Thyroxine, I-131;Thyroxine I 131 [USAN];7019-69-4;Thyroxine (131I);UNII-66847MKV84;Thyroxine, labeled with iodine-131;66847MKV84;(131I)T4;Thyroxine I 131 (USAN);L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, labeled with iodine-131;C15-H11-I4-N-O4;thyroxine-i131;CHEMBL3989736;DTXSID40220462;D06122;Q27263976;Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, labeled with iodine-131;7525-17-9

Chemical Property of Thyroxine I 131

Chemical Property:

• PSA: 92.78000
• Density: 2.635g/cm³
• LogP: 5.25760
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 792.69331
• Heavy Atom Count: 24
• Complexity: 420

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)O)N
• Isomeric SMILES: C1=C(C=C(C(=C1[131I])OC2=CC(=C(C(=C2)[131I])O)[131I])[131I])C[C@@H](C(=O)O)N