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Substance Name: 2,3-Piperazinedione, 1-(phenylmethyl)-4-((4-(2-pyrimidinylamino)phenyl)methyl)-
RN: 77916-97-3
InChIKey: ZCLGFADSFCRJBR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-N5-O2

Molecular Weight

  • 387.4409
 
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Names and Synonyms

Synonyms

  • 1-(Phenylmethyl)-4-((4-(2-pyrimidinylamino)phenyl)methyl)-2,3-piperazinedione
  • 1-Benzyl-4-(4-(2-pyrimidinylamino)benzyl)-2,3-dioxopiperazine
  • BRN 5644304

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77916-97-3

System Generated Number

  • 0077916973

Structure Descriptors

InChI

1S/C22H21N5O2/c28-20-21(29)27(14-13-26(20)15-17-5-2-1-3-6-17)16-18-7-9-19(10-8-18)25-22-23-11-4-12-24-22/h1-12H,13-16H2,(H,23,24,25)

InChIKey

ZCLGFADSFCRJBR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCN(C(=O)C2=O)Cc3ccc(cc3)Nc4ncccn4

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.