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Substance Name: Benzoic acid, 4-((2,3-dioxo-4-((4-(2-pyrimidinylamino)phenyl)methyl)-1-piperazinyl)methyl)-, methyl ester
RN: 77917-21-6
InChIKey: HLKVCYLOIPGPJV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H23-N5-O4

Molecular Weight

  • 445.4767
 
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Names and Synonyms

Synonym

  • BRN 5665473

Systematic Name

  • Benzoic acid, 4-((2,3-dioxo-4-((4-(2-pyrimidinylamino)phenyl)methyl)-1-piperazinyl)methyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 77917-21-6

System Generated Number

  • 0077917216

Structure Descriptors

InChI

1S/C24H23N5O4/c1-33-23(32)19-7-3-17(4-8-19)15-28-13-14-29(22(31)21(28)30)16-18-5-9-20(10-6-18)27-24-25-11-2-12-26-24/h2-12H,13-16H2,1H3,(H,25,26,27)

InChIKey

HLKVCYLOIPGPJV-UHFFFAOYSA-N

Smiles

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

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.