Carbamylated Triiodothyronine
[CAS# 99780-73-1]

Identification

• Name: Carbamylated Triiodothyronine
• Synonyms: (2S)-2-Amino-3-[3,5-Diiodo-4-[3-Iodo-4-[Oxo-(Phenylamino)Methoxy]Phenoxy]Phenyl]Propanoic Acid; (2S)-2-Amino-3-[3,5-Diiodo-4-[3-Iodo-4-(Phenylcarbamoyloxy)Phenoxy]Phenyl]Propionic Acid; L-Tyrosine, 3,5-Diiodo-O-(3-Iodo-4-(((Phenylamino)Carbonyl)Oxy)Phenyl)-
• Molecular Formula: C₂₂H₁₇I₃N₂O₅
• Molecular Weight: 770.10
• CAS Registry Number: 99780-73-1
• SMILES: [C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C=C2)OC(NC3=CC=CC=C3)=O)I)I)(C(O)=O)N
• InChI: 1S/C22H17I3N2O5/c23-15-11-14(6-7-19(15)32-22(30)27-13-4-2-1-3-5-13)31-20-16(24)8-12(9-17(20)25)10-18(26)21(28)29/h1-9,11,18H,10,26H2,(H,27,30)(H,28,29)/t18-/m0/s1
• InChIKey: RMBGBQQYSSGJBK-SFHVURJKSA-N

Properties

• Density: 2.144g/cm³ (Cal.)
• Boiling point: 678.179°C at 760 mmHg (Cal.)
• Flash point: 363.95°C (Cal.)