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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-((5-propyl-1,2,4-oxadiazol-3-yl)methyl)-
RN: 88339-06-4
InChIKey: VYZDCCMTUGQZKB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-N6-O3

Molecular Weight

  • 304.3084
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-7-((5-propyl-1,2,4-oxadiazol-3-yl)methyl)-1H-purine-2,6-dione
  • 7-((5-Propyl-1,2,4-oxadiazol-3-yl)methyl)theophylline

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-((5-propyl-1,2,4-oxadiazol-3-yl)methyl)-

Registry Numbers

CAS Registry Number

  • 88339-06-4

System Generated Number

  • 0088339064

Structure Descriptors

InChI

1S/C13H16N6O3/c1-4-5-9-15-8(16-22-9)6-19-7-14-11-10(19)12(20)18(3)13(21)17(11)2/h7H,4-6H2,1-3H3

InChIKey

VYZDCCMTUGQZKB-UHFFFAOYSA-N

Smiles

c12c(c(=O)n(c(=O)n1C)C)n(cn2)Cc1nc(on1)CCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 390mg/kg (390mg/kg)   United States Patent Document. Vol. #4565817,
mouse LD50 oral 1400mg/kg (1400mg/kg)   United States Patent Document. Vol. #4565817,