5-Butyrylamino-N-Pentyl-2,4,6-Triiodoisophthalamic Acid Sodium Salt
[CAS# 67292-85-7]

Identification

• Name: 5-Butyrylamino-N-Pentyl-2,4,6-Triiodoisophthalamic Acid Sodium Salt
• Synonyms: Sodium 2,4,6-Triiodo-3-(1-Oxobutylamino)-5-[Oxo-(Pentylamino)Methyl]Benzoate; Sodium 3-(Amylcarbamoyl)-5-Butyramido-2,4,6-Triiodo-Benzoate; 5-Butyrylamino-N-Pentyl-2,4,6-Triiodoisophthalamic Acid Sodium Salt
• Molecular Formula: C₁₇H₂₀I₃N₂NaO₄
• Molecular Weight: 720.06
• CAS Registry Number: 67292-85-7
• SMILES: C(NC(=O)C1=C(I)C(=C(I)C(=C1I)NC(=O)CCC)C([O-])=O)CCCC.[Na+]
• InChI: 1S/C17H21I3N2O4.Na/c1-3-5-6-8-21-16(24)10-12(18)11(17(25)26)14(20)15(13(10)19)22-9(23)7-4-2;/h3-8H2,1-2H3,(H,21,24)(H,22,23)(H,25,26);/q;+1/p-1
• InChIKey: ROMHUTMMWIYREH-UHFFFAOYSA-M

Properties

• Boiling point: 576.8°C at 760 mmHg (Cal.)
• Flash point: 302.7°C (Cal.)