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Substance Name: 2,3-Piperazinedione, 1-hexyl-4-((4-(2-pyrimidinylamino)phenyl)methyl)-
RN: 77917-01-2
InChIKey: PPCVRMHOVOHVJF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N5-O2

Molecular Weight

  • 381.4773
 
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Names and Synonyms

Synonyms

  • 1-Hexyl-4-((4-(2-pyrimidinylamino)phenyl)methyl)-2,3-piperazinedione
  • 1-n-Hexyl-4-(4-(2-pyrimidinylamino)benzyl)-2,3-dioxopiperazine
  • BRN 5648324

Systematic Name

  • 2,3-Piperazinedione, 1-hexyl-4-((4-(2-pyrimidinylamino)phenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 77917-01-2

System Generated Number

  • 0077917012

Structure Descriptors

InChI

1S/C21H27N5O2/c1-2-3-4-5-13-25-14-15-26(20(28)19(25)27)16-17-7-9-18(10-8-17)24-21-22-11-6-12-23-21/h6-12H,2-5,13-16H2,1H3,(H,22,23,24)

InChIKey

PPCVRMHOVOHVJF-UHFFFAOYSA-N

Smiles

CCCCCCN1CCN(C(=O)C1=O)Cc2ccc(cc2)Nc3ncccn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 29, Pg. 1253, 1981.