N-Bromoacetylthyroxine
[CAS# 64379-24-4]

Identification

• Name: N-Bromoacetylthyroxine
• Synonyms: (2S)-2-[(2-Bromoacetyl)Amino]-3-[4-(4-Hydroxy-3,5-Diiodo-Phenoxy)-3,5-Diiodo-Phenyl]Propanoic Acid; (2S)-2-[(2-Bromo-1-Oxoethyl)Amino]-3-[4-(4-Hydroxy-3,5-Diiodophenoxy)-3,5-Diiodophenyl]Propanoic Acid; (2S)-2-[(2-Bromoacetyl)Amino]-3-[4-(4-Hydroxy-3,5-Diiodo-Phenoxy)-3,5-Diiodo-Phenyl]Propionic Acid
• Molecular Formula: C₁₇H₁₂BrI₄NO₅
• Molecular Weight: 897.81
• CAS Registry Number: 64379-24-4
• SMILES: [C@H](CC1=CC(=C(C(=C1)I)OC2=CC(=C(C(=C2)I)O)I)I)(C(O)=O)NC(=O)CBr
• InChI: 1S/C17H12BrI4NO5/c18-6-14(24)23-13(17(26)27)3-7-1-11(21)16(12(22)2-7)28-8-4-9(19)15(25)10(20)5-8/h1-2,4-5,13,25H,3,6H2,(H,23,24)(H,26,27)/t13-/m0/s1
• InChIKey: RZLOAUPCEMPCAE-ZDUSSCGKSA-N

Properties

• Density: 2.616g/cm³ (Cal.)
• Boiling point: 700.662°C at 760 mmHg (Cal.)
• Flash point: 377.547°C (Cal.)