DL-Thyroxine Sodium Salt
[CAS# 1491-91-4]

Identification

• Name: DL-Thyroxine Sodium Salt
• Synonyms: Sodium (2S)-2-Amino-3-[4-(4-Hydroxy-3,5-Diiodo-Phenoxy)-3,5-Diiodo-Phenyl]Propanoate; Sodium (2S)-2-Amino-3-[4-(4-Hydroxy-3,5-Diiodo-Phenoxy)-3,5-Diiodo-Phenyl]Propionate; Letter
• Molecular Formula: C₁₅H₁₀I₄NNaO₄
• Molecular Weight: 798.86
• CAS Registry Number: 1491-91-4 (50809-32-0)
• EINECS: 216-080-7
• SMILES: [C@H](C([O-])=O)(N)CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I.[Na+]
• InChI: 1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m0./s1
• InChIKey: YDTFRJLNMPSCFM-YDALLXLXSA-M

Properties

• Boiling point: 576.3°C at 760 mmHg (Cal.)
• Flash point: 302.3°C (Cal.)

References

• (1): Sasi S. Kannamkumarath, Rodolfo G. Wuilloud, Apryll Stalcup, Joseph A. Caruso, Himanshu Patel and Adel Sakr. Determination of levothyroxine and its degradation products in pharmaceutical tablets by HPLC-UV-ICP-MS, J. Anal. Atom. Spectrosc., 2004, 19, 107.