Sodium 3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoate
[CAS# 1225-20-3]

Identification

• Name: Sodium 3-Acetamido-2,4,6-Triiodo-5-(Methylcarbamoyl)Benzoate
• Synonyms: Conray 325; Conray 80; Conray-400
• Molecular Formula: C₁₁H₈I₃N₂NaO₄
• Molecular Weight: 635.90
• CAS Registry Number: 1225-20-3 (15845-98-4)
• EINECS: 214-955-8
• SMILES: CC(=O)NC1=C(C(=C(C(=C1I)C(=O)[O-])I)C(=O)NC)I.[Na+]
• InChI: 1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1
• InChIKey: WCIMWHNSWLLELS-UHFFFAOYSA-M

Properties

• Boiling point: 520.2°C at 760 mmHg (Cal.)
• Flash point: 268.4°C (Cal.)

References

• (1): Zhao YH, Abraham MH, Le J, Hersey A, Luscombe CN, Beck G, Sherborne B, and Cooper I. Rate-limited Steps of Human Oral Absorption and QSAR Studies, Pharm Res., 2002, 19(10), 1446-57