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Substance Name: Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-
RN: 116904-25-7
InChIKey: XOKSOPBWRYXLAO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H21-N5-O4

Molecular Weight

  • 431.4499
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)piperazine
  • 5-(4-Methylpiperazin-1-ylcarbonyl)-4-(4-nitrobenzoyl)-2-phenylpyrimidine
  • FR76659

Systematic Name

  • Piperazine, 1-methyl-4-((2-phenyl-4-(4-nitrobenzoyl)-5-pyrimidinyl)carbonyl)-

Registry Numbers

CAS Registry Number

  • 116904-25-7

System Generated Number

  • 0116904257

Structure Descriptors

InChI

1S/C23H21N5O4/c1-26-11-13-27(14-12-26)23(30)19-15-24-22(17-5-3-2-4-6-17)25-20(19)21(29)16-7-9-18(10-8-16)28(31)32/h2-10,15H,11-14H2,1H3

InChIKey

XOKSOPBWRYXLAO-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C(=O)c2cnc(nc2C(=O)c3ccc(cc3)[N+](=O)[O-])c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 42, Pg. 1279, 1994.