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Substance Name: 2,5-Piperazinedione, 1-hexyl-4-((4-(2-pyrimidinylamino)phenyl)methyl)-
RN: 79179-65-0
InChIKey: OHBFIANODYUGDB-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)-2,5-piperazinedione
  • 1-n-Hexyl-4-(4-(2-pyrimidinylamino)benzyl)-2,5-dioxopiperazine
  • BRN 5648570

Systematic Name

  • 2,5-Piperazinedione, 1-hexyl-4-((4-(2-pyrimidinylamino)phenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 79179-65-0

System Generated Number

  • 0079179650

Structure Descriptors

InChI

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

InChIKey

OHBFIANODYUGDB-UHFFFAOYSA-N

Smiles

CCCCCCN1CC(=O)N(CC1=O)Cc2ccc(cc2)Nc3ncccn3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 500mg/kg (500mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 29, Pg. 1594, 1981.