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Substance Name: Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, 2,3-dihydroxypropyl ester
RN: 67093-13-4
InChIKey: NJAUFVDIJIFKIM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-I3-N2-O6

Molecular Weight

  • 702.0073
 
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Names and Synonyms

Synonyms

  • (2,3-Dihydroxypropyl) 5-acetamido-3-acetamidomethyl-2,4,6-triiodobenzoate
  • 3-Acetamido-5-acetamidomethyl-2,4,6-triiodobenzoic acid 2,3-dihydroxypropyl ester
  • B 6590
  • BRN 2188980

Systematic Name

  • Benzoic acid, 3-acetamido-5-acetamidomethyl-2,4,6-triiodo-, 2,3-dihydroxypropyl ester

Registry Numbers

CAS Registry Number

  • 67093-13-4

System Generated Number

  • 0067093134

Structure Descriptors

InChI

1S/C15H17I3N2O6/c1-6(22)19-3-9-11(16)10(15(25)26-5-8(24)4-21)13(18)14(12(9)17)20-7(2)23/h8,21,24H,3-5H2,1-2H3,(H,19,22)(H,20,23)

InChIKey

NJAUFVDIJIFKIM-UHFFFAOYSA-N

Smiles

CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)OCC(O)CO)c1I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 17800mg/kg (17800mg/kg)   Farmaco, Edizione Scientifica. Vol. 33, Pg. 302, 1978.