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Substance Name: Benzoic acid, 3,5-divaleramido-2,4,6-triiodo-
RN: 67049-60-9
InChIKey: GGFOCZVPIOWRFB-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-I3-N2-O4

Molecular Weight

  • 698.063
 
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Names and Synonyms

Synonyms

  • 3,5-Divaleramido-2,4,6-triiodobenzoic acid
  • 4-14-00-01309 (Beilstein Handbook Reference)
  • BRN 3486092

Systematic Name

  • Benzoic acid, 3,5-divaleramido-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 67049-60-9

System Generated Number

  • 0067049609

Structure Descriptors

InChI

1S/C17H21I3N2O4/c1-3-5-7-9(23)21-15-12(18)11(17(25)26)13(19)16(14(15)20)22-10(24)8-6-4-2/h3-8H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)

InChIKey

GGFOCZVPIOWRFB-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)NC(CCCC)=O)C(O)=O)I)NC(CCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2600mg/kg (2600mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.