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Substance Name: Benzoic acid, 3,3'-(adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-
RN: 51134-92-0
InChIKey: DXYQAEKHSLXMEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H28-I6-N4-O8

Molecular Weight

  • 1333.97
 
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Names and Synonyms

Synonyms

  • 3,3'-(Adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodobenzoic acid)
  • 5-21-06-00379 (Beilstein Handbook Reference)
  • BRN 1523080

Systematic Name

  • Benzoic acid, 3,3'-(adipoyldiimino)bis(5-((2-oxo-1-pyrrolidinyl)methyl)-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 51134-92-0

System Generated Number

  • 0051134920

Structure Descriptors

InChI

1S/C30H28I6N4O8/c31-21-13(11-39-9-3-7-17(39)43)23(33)27(25(35)19(21)29(45)46)37-15(41)5-1-2-6-16(42)38-28-24(34)14(12-40-10-4-8-18(40)44)22(32)20(26(28)36)30(47)48/h1-12H2,(H,37,41)(H,38,42)(H,45,46)(H,47,48)

InChIKey

DXYQAEKHSLXMEF-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)NC(CCCCC(Nc1c(c(c(I)c(c1I)C(O)=O)CN1C(CCC1)=O)I)=O)=O)I)CN1C(CCC1)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10100mg/kg (10100mg/kg)   Farmaco, Edizione Scientifica. Vol. 28, Pg. 912, 1973.