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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-butyl-1-methyl-3-(2-methylpropyl)-
RN: 132560-09-9
InChIKey: OORTUCINFLBQQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N4-O2

Molecular Weight

  • 278.3538
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-8-butyl-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
  • BRN 4198165
  • Xanthine, 8-butyl-3-isobutyl-1-methyl-

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-butyl-1-methyl-3-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 132560-09-9

System Generated Number

  • 0132560099

Structure Descriptors

InChI

1S/C14H22N4O2/c1-5-6-7-10-15-11-12(16-10)18(8-9(2)3)14(20)17(4)13(11)19/h9H,5-8H2,1-4H3,(H,15,16)

InChIKey

OORTUCINFLBQQH-UHFFFAOYSA-N

Smiles

CCCCc1[nH]c2c(n1)n(c(=O)n(c2=O)C)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 340mg/kg (340mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.