Ioxabrolic Acid
[CAS# 96191-65-0]

Identification

• Name: Ioxabrolic Acid
• Synonyms: 3-[[2-[[3-(Acetyl-Methyl-Amino)-2,4,6-Tribromo-5-(Methylcarbamoyl)Benzoyl]Amino]Acetyl]Amino]-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoic Acid; 3-[[2-[[[3-(Acetyl-Methylamino)-2,4,6-Tribromo-5-(Methylcarbamoyl)Phenyl]-Oxomethyl]Amino]-1-Oxoethyl]Amin
• Molecular Formula: C₂₄H₂₁Br₃I₃N₅O₈
• Molecular Weight: 1127.88
• CAS Registry Number: 96191-65-0
• SMILES: C(NC(C1=C(C(=C(Br)C(=C1Br)C(NC)=O)N(C(C)=O)C)Br)=O)C(NC2=C(C(=C(I)C(=C2I)C(O)=O)C(NCCO)=O)I)=O
• InChI: 1S/C24H21Br3I3N5O8/c1-7(37)35(3)20-14(26)9(21(39)31-2)13(25)10(15(20)27)22(40)33-6-8(38)34-19-17(29)11(23(41)32-4-5-36)16(28)12(18(19)30)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,41)(H,33,40)(H,34,38)(H,42,43)
• InChIKey: OJCPHFBLBNKCNX-UHFFFAOYSA-N

Properties

• Density: 2.345g/cm³ (Cal.)
• Boiling point: 846.952°C at 760 mmHg (Cal.)
• Flash point: 466.02°C (Cal.)