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3,3',5-Triiodo-L-thyronine

CAT: 0203-35006-44Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0203-35006-44Size:100 mg
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CAS Number
6893-02-3
Purity
≧ 98.0% (HPLC)
Storage Conditions
R (Refrigerator)
Grade
GR (Guaranteed Reagent)

Chemical Information

Liothyronine

3,3',5-triiodo-L-thyronine is an iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism. It has a role as a thyroid hormone, a mouse metabolite and a human metabolite. It is an iodophenol, an iodothyronine and a 2-halophenol. It is a conjugate acid of a 3,3',5-triiodo-L-thyroninate. It is a tautomer of a 3,3',5-triiodo-L-thyronine zwitterion.

CAS Number6893-02-3
PubChem CID5920
IUPAC Name(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
Molecular FormulaC15H12I3NO4
Molecular Weight650.97
XLogP1.7
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity402
SMILES
C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O
InChI
InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)/t12-/m0/s1
InChIKey
AUYYCJSJGJYCDS-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Liothyronine
CAS: 6893-02-3
CID: 5920
Formula: C15H12I3NO4
MW: 650.97
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight650.97
XLogP31.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass650.7901
Monoisotopic Mass650.7901
Topological Polar Surface Area92.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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