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Substance Name: 2,3-Piperazinedione, 1-((4-nitrophenyl)methyl)-4-((4-(2-pyrimidinylamino)phenyl)methyl)-
RN: 77917-22-7
InChIKey: JJJKZKRFLJXTQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H20-N6-O4

Molecular Weight

  • 432.438
 
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Names and Synonyms

Synonyms

  • 1-((4-Nitrophenyl)methyl)-4-((4-(2-pyrimidinylamino)phenyl)methyl)-2,3-piperazinedione
  • BRN 5665124

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77917-22-7

System Generated Number

  • 0077917227

Structure Descriptors

InChI

1S/C22H20N6O4/c29-20-21(30)27(15-17-4-8-19(9-5-17)28(31)32)13-12-26(20)14-16-2-6-18(7-3-16)25-22-23-10-1-11-24-22/h1-11H,12-15H2,(H,23,24,25)

InChIKey

JJJKZKRFLJXTQH-UHFFFAOYSA-N

Smiles

c1cnc(nc1)Nc2ccc(cc2)CN3CCN(C(=O)C3=O)Cc4ccc(cc4)[N+](=O)[O-]

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. 1253, 1981.