alpha-Ethyl-3-(2-Oxopiperidino)-2,4,6-Triiodohydrocinnamic Acid Sodium Salt
[CAS# 21762-18-5]

Identification

• Name: alpha-Ethyl-3-(2-Oxopiperidino)-2,4,6-Triiodohydrocinnamic Acid Sodium Salt
• Synonyms: Sodium 2-[[2,4,6-Triiodo-3-(2-Oxo-1-Piperidyl)Phenyl]Methyl]Butanoate; Sodium 2-[[2,4,6-Triiodo-3-(2-Oxo-1-Piperidinyl)Phenyl]Methyl]Butanoate; Sodium 2-[2,4,6-Triiodo-3-(2-Keto-1-Piperidyl)Benzyl]Butyrate
• Molecular Formula: C₁₆H₁₇I₃NNaO₃
• Molecular Weight: 675.02
• CAS Registry Number: 21762-18-5
• SMILES: C1=C(I)C(=C(I)C(=C1I)CC(C([O-])=O)CC)N2C(=O)CCCC2.[Na+]
• InChI: 1S/C16H18I3NO3.Na/c1-2-9(16(22)23)7-10-11(17)8-12(18)15(14(10)19)20-6-4-3-5-13(20)21;/h8-9H,2-7H2,1H3,(H,22,23);/q;+1/p-1
• InChIKey: SKHQUQQKCKCRNK-UHFFFAOYSA-M

Properties

• Boiling point: 681.4°C at 760 mmHg (Cal.)
• Flash point: 365.9°C (Cal.)