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Substance Name: 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-
RN: 77762-98-2
InChIKey: INOQIRVUXKPPQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H34-N4-O4

Molecular Weight

  • 514.6226
 
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Names and Synonyms

Synonym

  • BRN 5677514

Systematic Name

  • 1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(hexahydro-1H-azepin-1-yl)but-2-ynyl)-

Registry Numbers

CAS Registry Number

  • 77762-98-2

System Generated Number

  • 0077762982

Structure Descriptors

InChI

1S/C30H34N4O4/c35-27-23-21-25-26(30(38)34(29(25)37)20-12-10-18-32-15-7-3-4-8-16-32)22-24(23)28(36)33(27)19-11-9-17-31-13-5-1-2-6-14-31/h21-22H,1-8,13-20H2

InChIKey

INOQIRVUXKPPQH-UHFFFAOYSA-N

Smiles

c1c2c(cc3c1c(=O)n(c3=O)CC#CCN4CCCCCC4)c(=O)n(c2=O)CC#CCN5CCCCCC5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 618mg/kg (618mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 91, 1981.