CAS 55-06-1|3,3',5-TRIIODO-L-THYRONINE|O-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine sodium salt|Liothyronine|sodium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate|potassium 2...

General Information

Structure

Molecular Formula

C₁₅H₁₁I₃NNaO₄

Molecular Mass

672.95532

Exact Mass

672.77199612

Charge

InChI

InChI=1S/C15H12I3NO4.Na/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);/q;+1/p-1

InChIKey

SBXXSUDPJJJJLC-UHFFFAOYSA-M

Canonic Smiles

[O-]C(=O)C(Cc1cc(I)c(c(c1)I)Oc1ccc(c(c1)I)O)N.[Na+]

Isomeric Smiles

[Na+].NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)[O-]

Calculated Properties

JChem

Acid pKa

0.30246884

H Acceptors

H Donor

LogD (pH = 5.5)

2.798151

LogD (pH = 7.4)

2.7648876

Log P

2.798505

Molar Refractivity

124.2626

Polarizability

44.781998

Polar Surface Area

95.61

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3,3',5-TRIIODO-L-THYRONINEO-(4-Hydroxy-3-iodophenyl)-3,5-diiodo-L-tyrosine sodium saltLiothyronineCynomelCytomineTriothyroneSodium L-triiodothyronineTertroxin3,3',5-TRIIODO-L-THYRONINE SODIUM SALTLiothyronine sodiumCytobin3,3',5-TRIIODO-L-THYRONINE SODIUM SALT γ-IRRADIATEDCytomel

IUPAC name

sodium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate

IUPAC Traditional name

potassium 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate

Names and Identifiers

Registration numbers

EC Number

200-223-5

CAS Number

55-06-1

PubChem SID

162090424