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Substance Name: Benzoic acid, 4-amino-3,5-diiodo-
RN: 2122-61-4
InChIKey: WXTVPMWCUMEVSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H5-I2-N-O2

Molecular Weight

  • 388.922
 
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Names and Synonyms

Synonyms

  • 3,5-Dijod-4-aminohippursaeure
  • 3,5-Dijod-4-aminohippursaeure [German]
  • 3-14-00-01161 (Beilstein Handbook Reference)
  • 4-Amino-3,5-diiodobenzoic acid
  • AI3-52265
  • BRN 2103037
  • EINECS 218-331-6
  • NSC 57118

Systematic Names

  • 4-Amino-3,5-diiodobenzoic acid
  • Benzoic acid, 4-amino-3,5-diiodo-

Registry Numbers

CAS Registry Number

  • 2122-61-4

System Generated Number

  • 0002122614

Structure Descriptors

InChI

1S/C7H5I2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)

InChIKey

WXTVPMWCUMEVSZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03073,
rat LD50 unreported 515mg/kg (515mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 42, Pg. 721, 1953.