Back to Search
Liothyronine Sodium
CAS: 55-06-1 | C15H12I3NNaO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
55-06-1
Molecular Formula:
C15H12I3NNaO4
Molecular Mass:
673.97 g/mol
Names and Synonyms:
Liothyronine Sodium
L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-, sodium salt (1:1)
Alanine, 3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]-, monosodium salt, L-
L-Tyrosine, O-(4-hydroxy-3-iodophenyl)-3,5-diiodo-, monosodium salt
Cytomel sodium
Tertroxin
Sodium triiodo-L-thyronine
Sodium 3,3′,5-triiodo-L-thyronine
Sodium 3,5,3′-triiodothyronine
Sodium triiodothyronine
Triiodothyronine sodium salt
L-Triiodothyronine sodium salt
Sodium liothyronine
Liothyronin sodium
Basoprocin
Cynomel
Cytomel
Ibiothyron
3,3′,5-Triiodo-L-thyronine sodium salt
3,3′,5-Triiodothyronine sodium salt
Sodium L-3,3′,5-triiodothyronine
T3 Sodium salt
Sodium T3
Liothyronine sodium
Triothyrone
Sodium L-triiodothyronine
Liothyroniinde sodium salt
Cytomine
Cyomel
Triostat
Cytobin
3,5,3′-Triiodo-L-thyronine monosodium salt
3,3′,5-Triiodo-L-thyronine sodium
Identifiers:
SMILES:
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O.[Na]
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);/t12-;/m0./s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 673.97 g/mol | CAS Common Chemistry |
| 673.9660000000001 g/mol | RDKit | |
| 673.779821144 g/mol | RDKit | |
| Canonical SMILES | [Na].O=C(O)C(N)CC1=CC(I)=C(OC2=CC=C(O)C(I)=C2)C(I)=C1 | CAS Common Chemistry |
| 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);/t12-;/m0./s1 | CAS Common Chemistry |
| InChI Key | InChIKey=LXHCVQFUTOUZEQ-YDALLXLXSA-N | CAS Common Chemistry |
| Name | Liothyronine sodium | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 92.78000000000002 Ų | RDKit |
| LogP | 3.571900000000001 | RDKit |
| Molar Refractivity | 117.84300000000002 | RDKit |
