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Substance Name: Isophthalamic acid, 5,5'-(octamethylenebis(carbonylimino))bis(N-butyl-2,4,6-triiodo-
RN: 13064-72-7
InChIKey: KYZVCOASUJDGKE-UHFFFAOYSA-N

Molecular Formula

  • C34-H40-I6-N4-O8

Molecular Weight

  • 1394.11
 
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Names and Synonyms

Synonyms

  • 5,5'-(Octamethylenebis(carbonylimino))bis(N-butyl-2,4,6-triiodoisophthalamic acid)
  • BRN 2800750

Systematic Name

  • Isophthalamic acid, 5,5'-(octamethylenebis(carbonylimino))bis(N-butyl-2,4,6-triiodo-

Registry Numbers

CAS Registry Number

  • 13064-72-7

System Generated Number

  • 0013064727

Structure Descriptors

InChI

1S/C34H40I6N4O8/c1-3-5-15-41-31(47)19-23(35)21(33(49)50)27(39)29(25(19)37)43-17(45)13-11-9-7-8-10-12-14-18(46)44-30-26(38)20(32(48)42-16-6-4-2)24(36)22(28(30)40)34(51)52/h3-16H2,1-2H3,(H,41,47)(H,42,48)(H,43,45)(H,44,46)(H,49,50)(H,51,52)

InChIKey

KYZVCOASUJDGKE-UHFFFAOYSA-N

Smiles

c1(c(c(c(I)c(c1I)C(O)=O)C(NCCCC)=O)I)NC(CCCCCCCCC(Nc1c(c(c(I)c(c1I)C(O)=O)C(NCCCC)=O)I)=O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2300mg/kg (2300mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 964, 1966.