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Substance Name: 2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl- D-glucopyranoside
RN: 58199-95-4
InChIKey: NGOYURKHFAWGEJ-TVKQLUOBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-I3-N2-O8

Molecular Weight

  • 748.032
 
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Names and Synonyms

Name of Substance

  • 2,4,5-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl- D-glucopyranoside

Synonyms

  • 2,4,6-Triiodo-3-acetamido-5-N-methylcarboxamidophenyl beta-D-glucopyranoside
  • 5-Acetamido-3-(beta-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodobenzenecarboxamide
  • BRN 1609797

Systematic Names

  • 3-(Acetylamino)-5-(beta-D-glucopyranosyloxy)-2,4,6-triiodo-N-methylbenzamide
  • Benzenecarboxamide, 5-acetamido-3-(beta-D-glucopyranos-1-yloxy)-N-methyl-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 58199-95-4

System Generated Number

  • 0058199954

Structure Descriptors

InChI

1S/C16H19I3N2O8/c1-4(23)21-10-7(17)6(15(27)20-2)8(18)14(9(10)19)29-16-13(26)12(25)11(24)5(3-22)28-16/h5,11-13,16,22,24-26H,3H2,1-2H3,(H,20,27)(H,21,23)/t5-,11-,12+,13-,16+/m1/s1

InChIKey

NGOYURKHFAWGEJ-TVKQLUOBSA-N

Smiles

C(c1c(c(c(c(c1I)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)I)NC(=O)C)I)(=O)NC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 26gm/kg (26000mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 353, 1976.