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Substance Name: Pyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-8-fluoro-7-(1-piperazinyl)-, mono(trifluoroacetate)
RN: 137858-17-4
InChIKey: NRYBOFCBJNYPSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-F-N5-O2.C2-H-F3-O2

Molecular Weight

  • 457.3821
 
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Names and Synonyms

Synonym

  • 5-Cyclopropyl-8-fluoro-7-piperazinopyrimido(1,6-a)benzimidazole-1,3-dione trifluoroacetate

Systematic Name

  • Pyrimido(1,6-a)benzimidazole-1,3(2H,5H)-dione, 5-cyclopropyl-8-fluoro-7-(1-piperazinyl)-, mono(trifluoroacetate)

Registry Numbers

CAS Registry Number

  • 137858-17-4

System Generated Number

  • 0137858174

Molecular Formulas

Molecular Formula

  • C17-H18-F-N5-O2.C2-H-F3-O2

Molecular Formula Fragments

  • C17-H18-F-N5-O2
  • C2-H-F3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18FN5O2.C2HF3O2/c18-11-7-13-14(8-12(11)21-5-3-19-4-6-21)22(10-1-2-10)16-9-15(24)20-17(25)23(13)16;3-2(4,5)1(6)7/h7-10,19H,1-6H2,(H,20,24,25);(H,6,7)

InChIKey

NRYBOFCBJNYPSZ-UHFFFAOYSA-N

Smiles

c1c2c(cc(c1N3CCNCC3)F)n4c(n2C5CC5)cc(=O)[nH]c4=O.C(=O)(C(F)(F)F)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intravenous 30mg/kg (30mg/kg)   United States Patent Document. Vol. #5283248,
mammal (species unspecified) LD50 oral > 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #5283248,