Sodium 3-[[[[3-(Acetylmethylamino)-2,4,6-Triiodo-5-[(Methylamino)Carbonyl]Benzoyl]Amino]Acetyl]Amino]-5-[[(2-Hydroxyethyl)Amino]Carbonyl]-2,4,6-Triiodobenzoate
[CAS# 67992-58-9]

Identification

• Name: Sodium 3-[[[[3-(Acetylmethylamino)-2,4,6-Triiodo-5-[(Methylamino)Carbonyl]Benzoyl]Amino]Acetyl]Amino]-5-[[(2-Hydroxyethyl)Amino]Carbonyl]-2,4,6-Triiodobenzoate
• Synonyms: Sodium 3-[[2-[[3-(Acetyl-Methyl-Amino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoyl]Amino]Acetyl]Amino]-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoate; Sodium 3-[[2-[[[3-(Acetyl-Methylamino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]-Oxomethyl]Amino]-1-Oxoethyl]Amino]-5-[(2-Hydroxyethylamino)-Oxomethyl]-2,4,6-Triiodobenzoate; Sodium 3-[2-[[3-(Ethanoyl-Methyl-Amino)-2,4,6-Triiodo-5-(Methylcarbamoyl)Phenyl]Carbonylamino]Ethanoylamino]-5-(2-Hydroxyethylcarbamoyl)-2,4,6-Triiodo-Benzoate
• Molecular Formula: C₂₄H₂₀I₆N₅NaO₈
• Molecular Weight: 1290.87
• CAS Registry Number: 67992-58-9
• EINECS: 268-060-2
• SMILES: C(NC(=O)C1=C(I)C(=C(I)C(=C1I)N(C(=O)C)C)C(=O)NC)C(=O)NC2=C(I)C(=C(I)C(=C2I)C([O-])=O)C(=O)NCCO.[Na+]
• InChI: 1S/C24H21I6N5O8.Na/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);/q;+1/p-1
• InChIKey: MBVDCEVFLAONHO-UHFFFAOYSA-M

Properties

• Boiling point: 887.9°C at 760 mmHg (Cal.)
• Flash point: 490.8°C (Cal.)