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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-(2-propenyl)-
RN: 81250-17-1
InChIKey: LZKYSPPBMXPEBI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N4-O2

Molecular Weight

  • 262.3112
 
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Names and Synonyms

Synonyms

  • 1-Allyl-3-isobutyl-8-methylxanthine
  • 3,7-Dihydro-8-methyl-3-(2-methylpropyl)-1-(2-propenyl)-1H-purine-2,6-dione

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81250-17-1

System Generated Number

  • 0081250171

Structure Descriptors

InChI

1S/C13H18N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,14,15)

InChIKey

LZKYSPPBMXPEBI-UHFFFAOYSA-N

Smiles

CC(C)CN1C(=O)N(CC=C)C(=O)c2[nH]c(C)nc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 49mg/kg (49mg/kg)   United States Patent Document. Vol. #4581451,
rat LD50 oral 17mg/kg (17mg/kg)   United States Patent Document. Vol. #4581451,