CAS 440-58-4
:3-(Acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoic acid
Description:
3-(Acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoic acid, commonly referred to by its CAS number 440-58-4, is a chemical compound characterized by its complex structure, which includes multiple functional groups and iodine substituents. This compound features a benzoic acid backbone with three iodine atoms attached to the aromatic ring, significantly influencing its chemical properties and reactivity. The presence of acetylamino groups enhances its solubility and potential biological activity. It is typically used in various applications, including as a contrast agent in medical imaging due to its high iodine content, which provides excellent radiopacity. The compound's stability, solubility in organic solvents, and ability to form hydrogen bonds are notable characteristics that contribute to its utility in research and clinical settings. Additionally, its synthesis involves specific chemical reactions that allow for the introduction of the acetylamino and iodine groups, making it a subject of interest in synthetic organic chemistry.
Formula:C12H11I3N2O4
InChI:InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChI key:InChIKey=VVDGWALACJEJKG-UHFFFAOYSA-N
SMILES:N(C(C)=O)C1=C(I)C(C(O)=O)=C(I)C(CNC(C)=O)=C1I
Synonyms:- m-Toluic acid, α,5-diacetamido-2,4,6-triiodo-
- 3-(Acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodobenzoic acid
- Iodamide
- Benzoic acid, 3-(acetylamino)-5-[(acetylamino)methyl]-2,4,6-triiodo-
- 3-Acetamido-5-acetamidomethyl-2,4,6-triiodobenzoic acid
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