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Substance Name: Benzoic acid, 3-acetamido-5-heptanamido-2,4,6-triiodo-
RN: 67011-41-0
InChIKey: HESZIOFDZNOPPU-UHFFFAOYSA-N

Molecular Formula

  • C16-H19-I3-N2-O4

Molecular Weight

  • 684.036
 
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Names and Synonyms

Synonyms

  • 3-Acetamido-5-heptanamido-2,4,6-triiodobenzoic acid
  • 4-14-00-01310 (Beilstein Handbook Reference)
  • BRN 3476634

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67011-41-0

System Generated Number

  • 0067011410

Structure Descriptors

InChI

1S/C16H19I3N2O4/c1-3-4-5-6-7-9(23)21-15-12(18)10(16(24)25)11(17)14(13(15)19)20-8(2)22/h3-7H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)

InChIKey

HESZIOFDZNOPPU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1300mg/kg (1300mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 116, Pg. 394, 1956.