Bunamiodyl
[CAS# 1233-53-0]

Identification

• Name: Bunamiodyl
• Synonyms: Sodium (2E)-2-[[3-(Butanoylamino)-2,4,6-Triiodo-Phenyl]Methylene]Butanoate; Sodium (2E)-2-[[2,4,6-Triiodo-3-(1-Oxobutylamino)Phenyl]Methylene]Butanoate; Sodium (E)-3-(3-Butyramido-2,4,6-Triiodo-Phenyl)-2-Ethyl-Acrylate
• Molecular Formula: C₁₅H₁₅I₃NNaO₃
• Molecular Weight: 660.99
• CAS Registry Number: 1233-53-0 (1923-76-8)
• SMILES: C1=C(I)C(=C(I)C(=C1I)NC(=O)CCC)\C=C(C([O-])=O)/CC.[Na+]
• InChI: 1S/C15H16I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h6-7H,3-5H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1/b8-6+
• InChIKey: JNUQEHHAXSHUMD-WVLIHFOGSA-M

Properties

• Boiling point: 623°C at 760 mmHg (Cal.)
• Flash point: 330.6°C (Cal.)