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ChemicalBook >  Product Catalog >  Analytical Chemistry >  Standard >  Pharmaceutical Impurity Reference Standards >  5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide

5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide

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5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide Basic information

Product Name:
5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
Synonyms:
  • 5-AMino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenediforMaMide
  • 5-aMino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzendicarboxaMide
  • Iohexol Related CoMpound B
  • Ioversol Related CoMpound A
  • 5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
  • Ioversol impurity
  • 1,3-BenzenedicarboxaMide,5-aMino-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
  • 5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)-2,4,6-TRIIODO-1,3-BENZENEDICARBOXAMIDE
CAS:
76801-93-9
MF:
C14H18I3N3O6
MW:
705.02
EINECS:
474-080-4
Product Categories:
  • Aromatics
  • Isotope Labelled Compounds
  • Labeling and Diagnostics Reagents
  • Intermediate of Ioversol
Mol File:
76801-93-9.mol
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5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide Chemical Properties

Melting point:
195°C (dec.)
Boiling point:
684.9±55.0 °C(Predicted)
Density 
2.386±0.06 g/cm3(Predicted)
vapor pressure 
0Pa at 25℃
storage temp. 
Keep in dark place,Inert atmosphere,Room temperature
solubility 
DMSO (Slightly, Heated), Methanol (Slightly)
pka
11.58±0.46(Predicted)
color 
White to Off-White
Stability:
Hygroscopic
InChIKey
KAEGSAWWVYMWIQ-UHFFFAOYSA-N
LogP
-1.81 at 23℃ and pH5.83
Surface tension
72.85mN/m at 1g/L and 20℃
CAS DataBase Reference
76801-93-9(CAS DataBase Reference)
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Safety Information

HS Code 
2924296000
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5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide Usage And Synthesis

Description

5-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide is an experimental compound that is used in the industrial preparation of pharmaceuticals and agricultural chemicals. It has a molecular weight of 191.14 g/mol. The crystallization process involves the use of ethanol to create supersaturation and then cooling to induce crystallization. This compound can be synthesized by an iodination reaction with x-ray irradiation at low temperatures.

Chemical Properties

White to Off-White Solid.

Uses

Used as an intermediate in the industrial preparation of non-ionic X-ray contrast agents such as Iohexol (I729500), Ioversol (I737000), Ioxilan (I737500), Iopamidol (I735600).

References

[1] RONGVED P, KLAVENESS J, STRANDE P. Starch microspheres as carriers for X-ray imaging contrast agents: Synthesis and stability of new amino-acid linker derivatives[J]. Carbohydrate Research, 1997, 297: 325-331. DOI:10.1016/S0008-6215(96)00286-8.

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