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Substance Name: Piperazine, 1-(3-pyridinylcarbonyl)-4-(4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)butyl)-
RN: 70454-33-0
InChIKey: RZSQJIOXSCUDJL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N7-O3

Molecular Weight

  • 425.4903
 
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Names and Synonyms

Synonyms

  • 5-26-14-00034 (Beilstein Handbook Reference)
  • BRN 1190114

Systematic Name

  • Piperazine, 1-(3-pyridinylcarbonyl)-4-(4-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)butyl)-

Registry Numbers

CAS Registry Number

  • 70454-33-0

System Generated Number

  • 0070454330

Structure Descriptors

InChI

1S/C21H27N7O3/c1-24-18-17(20(30)25(2)21(24)31)28(15-23-18)9-4-3-8-26-10-12-27(13-11-26)19(29)16-6-5-7-22-14-16/h5-7,14-15H,3-4,8-13H2,1-2H3

InChIKey

RZSQJIOXSCUDJL-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCCCN3CCN(CC3)C(=O)c4cccnc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 284, 1979.