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Substance Name: Ipodic acid
RN: 5587-89-3
UNII: F604ZKI910
InChIKey: YQNFBOJPTAXAKV-UHFFFAOYSA-N

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 Formula

  • C12-H13-I3-N2-O2

Molecular Weight

  • 597.9467
 

Classification Codes

  • Contrast Media
  • Diagnostic Uses of Chemicals
  • Drug / Therapeutic Agent
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Names and Synonyms

Name of Substance

  • Ipodate
  • Ipodic acid

MeSH Heading

  • Ipodate

Synonyms

  • 2,4,6-Triiodo-3-((dimethylaminomethylene)amino)hydrocinnamic acid
  • 3-(3-Dimethylaminomethyleneamino-2,4,6-triiodophenyl)propionic acid
  • Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-
  • beta-(3-(Dimethylaminomethyleneamino)-2,4,6-triiodophenyl)propionic acid
  • Bilimin acid
  • Bilopten
  • BRN 2220636
  • EINECS 226-992-7
  • HSDB 3347
  • Hydrocinnamic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-
  • Iopodic acid
  • Ipodate
  • Oragrafin
  • UNII-F604ZKI910

Systematic Names

  • 3-(((Dimethylamino)methylene)amino)-3-(2,4,6-triiodophenyl)propionic acid
  • Benzenepropanoic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo- (9CI)
  • Hydrocinnamic acid, 3-(((dimethylamino)methylene)amino)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 5587-89-3

FDA UNII

  • F604ZKI910

System Generated Number

  • 0005587893

Structure Descriptors

InChI

1S/C12H13I3N2O2/c1-17(2)6-16-12-9(14)5-8(13)7(11(12)15)3-4-10(18)19/h5-6H,3-4H2,1-2H3,(H,18,19)

InChIKey

YQNFBOJPTAXAKV-UHFFFAOYSA-N

Smiles

CN(C)C=Nc1c(I)cc(I)c(CCC(=O)O)c1I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 300mg/kg (300mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BLOOD: OTHER CHANGES		 Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
rat LD50 oral 1030mg/kg (1030mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BLOOD: OTHER CHANGES		 Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 168.5 deg C   EXP
log P (octanol-water) 5.490 (none)   EST
Atmospheric OH Rate Constant 8.98E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.