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Substance Name: Piperazine, 1-((4-amino-7-fluoro-3-cinnolinyl)carbonyl)-4-(2-pyrimidinyl)-
RN: 187231-59-0
InChIKey: XNVSUFCDDBLBDO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-F-N7-O

Molecular Weight

  • 353.3594
 
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Names and Synonyms

Synonym

  • 1-((4-Amino-7-fluoro-3-cinnolinyl)carbonyl)-4-(2-pyrimidinyl)piperazine

Systematic Name

  • Piperazine, 1-((4-amino-7-fluoro-3-cinnolinyl)carbonyl)-4-(2-pyrimidinyl)-

Registry Numbers

CAS Registry Number

  • 187231-59-0

System Generated Number

  • 0187231590

Structure Descriptors

InChI

1S/C17H16FN7O/c18-11-2-3-12-13(10-11)22-23-15(14(12)19)16(26)24-6-8-25(9-7-24)17-20-4-1-5-21-17/h1-5,10H,6-9H2,(H2,19,22)

InChIKey

XNVSUFCDDBLBDO-UHFFFAOYSA-N

Smiles

c1cnc(nc1)N2CCN(CC2)C(=O)c3c(c4ccc(cc4nn3)F)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 750mg/kg (750mg/kg)   Pharmazie. Vol. 52, Pg. 91, 1997.
mouse LD50 oral 1100mg/kg (1100mg/kg)   Pharmazie. Vol. 52, Pg. 91, 1997.