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Substance Name: I.S. 3345
RN: 13073-14-8
InChIKey: LGQIKBRIRFYMKI-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C34-H54-N4.2I

Molecular Weight

  • 772.629
 
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Names and Synonyms

Results Name

  • I.S. 3345

Synonym

  • I.S. 3345

Systematic Name

  • 5,14-Diaza-1,10-diazoniatricyclo(14.2.2.2(sup 7,10))docosane, 1,5,10,14-tetramethyl-7,16-diphenyl-, diiodide

Registry Numbers

CAS Registry Number

  • 13073-14-8

System Generated Number

  • 0013073148

Molecular Formulas

Molecular Formula

  • C34-H54-N4.2I

Molecular Formula Fragments

  • C34-H54-N4
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C34H54N4.2HI/c1-35-21-11-23-37(3)27-19-34(20-28-37,32-15-9-6-10-16-32)30-36(2)22-12-24-38(4)25-17-33(29-35,18-26-38)31-13-7-5-8-14-31;;/h5-10,13-16H,11-12,17-30H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

LGQIKBRIRFYMKI-UHFFFAOYSA-L

Smiles

C1C[N+]2(CCC[N@@](CC3(c4ccccc4)CC[N+](CCC[N@@](CC1(c1ccccc1)CC2)C)(C)CC3)C)C.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10mg/kg (10mg/kg) PERIPHERAL NERVE AND SENSATION: FLACCID PARALYSIS WITHOUT ANESTHESIA (USUALLY NEUROMUSCULAR BLOCKAGE) Farmaco, Edizione Scientifica. Vol. 22, Pg. 12, 1967.