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Levothyroxine Related Compound 4

CAT: 1596-AR-L01602-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-L01602-01Size:10 Units
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CAS Number
176258-88-1
Synonyms
2- (4- (4-hydroxy-3,5-diiodophenoxy) -3,5-diiodophenyl) acetamide;4- (4-Hydroxy-3,5-diiodophenoxy) -3,5-diiodobenzeneacetamide; Levothyroxine Acetamide Impurity;3,5,3',5'-Tetraiodo Thyroacetamide; (2- (4- (4-Hydroxy-3,5-diiodophenoxy) -3,5-diiodophenyl) acetamide)
Molecular Formula
C14H9I4NO3
Molecular Weight
746.85
API Name
Levothyroxine

Chemical Information

3,5,3',5'-Tetraiodo thyroacetamide
CAS Number176258-88-1
PubChem CID71587580
IUPAC Name2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetamide
Molecular FormulaC14H9I4NO3
Molecular Weight746.84
XLogP4.5
Topological Polar Surface Area72.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity376
SMILES
C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(=O)N
InChI
InChI=1S/C14H9I4NO3/c15-8-4-7(5-9(16)13(8)21)22-14-10(17)1-6(2-11(14)18)3-12(19)20/h1-2,4-5,21H,3H2,(H2,19,20)
InChIKey
MNMHUDWTDPTECO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5,3',5'-Tetraiodo thyroacetamide
CAS: 176258-88-1
CID: 71587580
Formula: C14H9I4NO3
MW: 746.84
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight746.84
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass746.6761
Monoisotopic Mass746.6761
Topological Polar Surface Area72.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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