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Substance Name: 3-Amino-2,4,6-triiodobenzoic acid
RN: 3119-15-1
UNII: 99H77D8MTD
InChIKey: QMQFFHSJUJDRPG-UHFFFAOYSA-N

Note

  • Antigenic determinant in contrast media.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H4-I3-N-O2

Molecular Weight

  • 514.814
 
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Names and Synonyms

Name of Substance

  • 3-Amino-2,4,6-triiodobenzoic acid

Synonyms

  • 3-Amino-2,4,6-triiodo-benzoic acid
  • 4-14-00-01118 (Beilstein Handbook Reference)
  • Acido 3-amino-2,4,6-triiodobenzoico
  • Acido 3-amino-2,4,6-triiodobenzoico [Italian]
  • BRN 2113495
  • EINECS 221-493-0
  • NSC 60105
  • UNII-99H77D8MTD

Systematic Names

  • 3-Amino-2,4,6-triiodobenzoic acid
  • Benzoic acid, 3-amino-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 3119-15-1

FDA UNII

  • 99H77D8MTD

Related Registry Number

  • 67031-56-5 (mono-hydrochloride salt)

System Generated Number

  • 0003119151

Structure Descriptors

InChI

1S/C7H4I3NO2/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1H,11H2,(H,12,13)

InChIKey

QMQFFHSJUJDRPG-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)cc1I)N)I)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 800mg/kg (800mg/kg)   Farmaco, Edizione Scientifica. Vol. 18, Pg. 33, 1963.
mouse LD50 oral 600mg/kg (600mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946.
rat LD50 unreported 1450mg/kg (1450mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 721, 1953.