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Substance Name: Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-
RN: 67011-43-2
InChIKey: NUPMNAQVWKUZSZ-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-I3-N2-O4

Molecular Weight

  • 698.063
 
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Names and Synonyms

Synonyms

  • 3-Acetamido-5-octanamido-2,4,6-triiodobenzoic acid
  • 4-14-00-01310 (Beilstein Handbook Reference)
  • BRN 3479433

Systematic Name

  • Benzoic acid, 3-acetamido-5-octanamido-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 67011-43-2

System Generated Number

  • 0067011432

Structure Descriptors

InChI

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

InChIKey

NUPMNAQVWKUZSZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 500mg/kg (500mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.