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Substance Name: Iopanoic acid [USP:INN:BAN:JAN]
RN: 96-83-3
UNII: FE9794P71J
InChIKey: OIRFJRBSRORBCM-UHFFFAOYSA-N

Note

  • Radiopaque medium used as diagnostic aid.

Molecular Formula

  • C11-H12-I3-N-O2

Molecular Weight

  • 570.9208
 

Classification Codes

  • Contrast Media
  • Diagnostic Aid (Radiopaque Medium)
  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect
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Names and Synonyms

Name of Substance

  • Iopanoic acid
  • Iopanoic acid [USP:INN:BAN:JAN]

MeSH Heading

  • Iopanoic acid

Synonyms

  • (pm)-3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid
  • 2-(3-Amino-2,4,6-triiodobenzyl)butyric acid
  • 2-Ethyl-3-(3-amino-2,4,6-triiodophenyl)propionic acid
  • 3-(3-Amino-2,4,6-triiodophenyl)-2-ethylpropanoic acid
  • 3-Amino-alpha-ethyl-2,4,6-triiodobenzenepropanoic acid
  • 3-Amino-alpha-ethyl-2,4,6-triiodohydrocinnamic acid
  • 4-14-00-01741 (Beilstein Handbook Reference)
  • Acide iopanoique
  • Acide iopanoique [French]
  • Acide iopanoique [INN-French]
  • Acido iopanoico
  • Acido iopanoico [INN-Spanish]
  • Acido iopanoico [Latin,Spanish]
  • Acidum iopanoicum
  • Acidum iopanoicum [INN-Latin]
  • Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-
  • Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (+-)-
  • beta-(3-Amino-2,4,6-triiodophenyl)-alpha-ethylpropionic acid
  • Bilijodon
  • BRN 2220381
  • Choladine
  • Cholevid
  • Cistobil
  • Colepax
  • Copanoic
  • EINECS 202-539-9
  • HSDB 3345
  • Hydrocinnamic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-
  • Iodopanoic acid
  • Iopagnost
  • Iopanoic acid
  • Iopanoicum
  • Jopagnost
  • Jopanoic acid
  • NSC 41706
  • Polognost
  • Telepaque
  • Teletrast
  • UNII-FE9794P71J
  • WIN 2011

Systematic Names

  • Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-
  • Hydrocinnamic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-
  • Iopanoic acid

Registry Numbers

CAS Registry Number

  • 96-83-3

FDA UNII

  • FE9794P71J

System Generated Number

  • 0000096833

Structure Descriptors

InChI

1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)

InChIKey

OIRFJRBSRORBCM-UHFFFAOYSA-N

Smiles

CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
man TDLo oral 86mg/kg/1W-I (86mg/kg) SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE" Archives of Dermatology. Vol. 123, Pg. 387, 1987.
mouse LD50 intraperitoneal 1230mg/kg (1230mg/kg)   Drugs in Japan Vol. -, Pg. 103, 1990.
mouse LD50 intravenous 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
mouse LD50 oral 6600mg/kg (6600mg/kg)   Journal of Medicinal Chemistry. Vol. 13, Pg. 997, 1970.
rat LD50 intraperitoneal 1520mg/kg (1520mg/kg)   Drugs in Japan Vol. -, Pg. 103, 1990.
rat LD50 intravenous 280mg/kg (280mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
rat LD50 oral 1540mg/kg (1540mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Toxicology and Applied Pharmacology. Vol. 14, Pg. 232, 1969.
women TDLo oral 60mg/kg (60mg/kg) BLOOD: THROMBOCYTOPENIA

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"

GASTROINTESTINAL: NAUSEA OR VOMITING
Clinical Toxicology. Vol. 18, Pg. 221, 1981.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 155.2 deg C   EXP
log P (octanol-water) 5.780 (none)   EST
Water Solubility 348 mg/L 37 EXP
Atmospheric OH Rate Constant 6.30E-12 cm3/molecule-sec 25 EST

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