Tyropanoate Sodium
[CAS# 7246-21-1]

Identification

• Name: Tyropanoate Sodium
• Synonyms: Sodium 2-[[3-(Butanoylamino)-2,4,6-Triiodo-Phenyl]Methyl]Butanoate; Sodium 2-[[2,4,6-Triiodo-3-(1-Oxobutylamino)Phenyl]Methyl]Butanoate; Sodium 2-(3-Butyramido-2,4,6-Triiodo-Benzyl)Butyrate
• Molecular Formula: C₁₅H₁₇I₃NNaO₃
• Molecular Weight: 663.01
• CAS Registry Number: 7246-21-1
• EINECS: 230-653-9
• SMILES: C1=C(C(=C(I)C(=C1I)CC(CC)C([O-])=O)NC(=O)CCC)I.[Na+]
• InChI: 1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1
• InChIKey: KTVKGXZZBQCBGD-UHFFFAOYSA-M