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Substance Name: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3-(4-fluorophenyl)-9-methyl-6-propyl-
RN: 135445-88-4
InChIKey: KBMPMQJNCKPQRY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-F-N6-O

Molecular Weight

  • 326.3335
 
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Names and Synonyms

Synonyms

  • 3-(4-Fluorophenyl)-9-methyl-6-propyl-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one
  • 6,9-Dihydro-9-methyl-6-n-propyl-3-(4-fluorophenyl)-5H-1,2,4-triazolo(3,4-i)purin-5-one

Systematic Name

  • 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-3-(4-fluorophenyl)-9-methyl-6-propyl-

Registry Numbers

CAS Registry Number

  • 135445-88-4

System Generated Number

  • 0135445884

Structure Descriptors

InChI

1S/C16H15FN6O/c1-3-8-22-14-12(21(2)9-18-14)15-20-19-13(23(15)16(22)24)10-4-6-11(17)7-5-10/h4-7,9H,3,8H2,1-2H3

InChIKey

KBMPMQJNCKPQRY-UHFFFAOYSA-N

Smiles

CCCn1c2c(c3nnc(n3c1=O)c4ccc(cc4)F)n(cn2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5173492,