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Substance Name: Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, ester with 2-hydroxybutyric acid, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
RN: 19080-45-6
InChIKey: PIBRPEIQGVSVLG-WZTVWXICSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H15-I3-N2-O6.C7-H17-N-O5

Molecular Weight

  • 895.205
 
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Names and Synonyms

  • Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, ester with 2-hydroxybutyric acid, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)

Registry Numbers

CAS Registry Number

  • 19080-45-6

System Generated Number

  • 0019080456

Molecular Formulas

Molecular Formula

  • C15-H15-I3-N2-O6.C7-H17-N-O5

Molecular Formula Fragments

  • C15-H15-I3-N2-O6
  • C7-H17-N-O5
  • COMPONENT

Structure Descriptors

InChI

1S/C15H15I3N2O6.C7H17NO5/c1-4-7(23)14(24)26-15(25)8-9(16)12(19-5(2)21)11(18)13(10(8)17)20-6(3)22;1-8-2-4(10)6(12)7(13)5(11)3-9/h7,23H,4H2,1-3H3,(H,19,21)(H,20,22);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

InChIKey

PIBRPEIQGVSVLG-WZTVWXICSA-N

Smiles

CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C(c1c(c(c(c(c1I)NC(C)=O)I)NC(C)=O)I)(=O)OC([C@@H](CC)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 7530mg/kg (7530mg/kg)   Pharmazie. Vol. 22, Pg. 470, 1967.