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Substance Name: 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(octahydro-1-azocinyl)but-2-ynyl)-
RN: 77762-99-3
InChIKey: ARCGWACERUWCPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C32-H38-N4-O4

Molecular Weight

  • 542.6762
 
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Names and Synonyms

Synonyms

  • BRN 5680860
  • N,N'-Bis(4-(octahydro-1-azocinyl)but-2-ynyl)-1,2,4,5-benzenetetracarboxylic 1,2,:4,5-diimide

Systematic Name

  • 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(octahydro-1-azocinyl)but-2-ynyl)-

Registry Numbers

CAS Registry Number

  • 77762-99-3

System Generated Number

  • 0077762993

Structure Descriptors

InChI

1S/C32H38N4O4/c37-29-25-23-27-28(32(40)36(31(27)39)22-14-12-20-34-17-9-5-2-6-10-18-34)24-26(25)30(38)35(29)21-13-11-19-33-15-7-3-1-4-8-16-33/h23-24H,1-10,15-22H2

InChIKey

ARCGWACERUWCPT-UHFFFAOYSA-N

Smiles

c1c2c(cc3c1c(=O)n(c3=O)CC#CCN4CCCCCCC4)c(=O)n(c2=O)CC#CCN5CCCCCCC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 3256mg/kg (3256mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 91, 1981.