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Substance Name: Ipodate calcium [USP]
RN: 1151-11-7
UNII: 50S7W5M9ZZ
InChIKey: HVZGHKKROPCBDE-UHFFFAOYSA-L

Note

  • Ionic monomeric contrast media. Usually the sodium or calcium salts are used for examination of the gall bladder and biliary tract. (From Martindale, The Extra Pharmacopoeia, 30th ed, p704)

Molecular Formulas

  • C12-H13-I3-N2-O2.1/2Ca
  • C24-H24-Ca-I6-N4-O4

Molecular Weight

  • 1233.9556
 

Classification Codes

  • Contrast Media
  • Diagnostic Aid (Radiopaque Medium)
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Names and Synonyms

Name of Substance

  • Ipodate calcium salt
  • Ipodate calcium [USP]

Synonyms

  • Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, calcium salt
  • Calcium 3-(((dimethylamino)methylene)amino)-2,4,6-triiodohydrocinnamate
  • EINECS 214-565-8
  • Ipodate calcium
  • Oragrafin Calcium
  • UNII-50S7W5M9ZZ

Systematic Names

  • Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-, calcium salt
  • Calcium bis(3-(((dimethylamino)methylene)amino)-3-(2,4,6-triiodophenyl)propionate)

Registry Numbers

CAS Registry Number

  • 1151-11-7

FDA UNII

  • 50S7W5M9ZZ

System Generated Number

  • 0001151117

Molecular Formulas

Molecular Formulas

  • C12-H13-I3-N2-O2.1/2Ca
  • C24-H24-Ca-I6-N4-O4

Molecular Formula Fragments

  • C12-H13-I3-N2-O2
  • Ca
  • COMPONENT

Structure Descriptors

InChI

1S/2C12H13I3N2O2.Ca/c2*1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19;/h2*5-6H,3-4H2,1-2H3,(H,18,19);/q;;+2/p-2

InChIKey

HVZGHKKROPCBDE-UHFFFAOYSA-L

Smiles

[Ca+2].CN(C)C=Nc1c(I)cc(I)c(CCC(=O)[O-])c1I.CN(C)C=Nc2c(I)cc(I)c(CCC(=O)[O-])c2I