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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-methyl-3-(2-methylpropyl)-1-propyl-
RN: 81250-25-1
InChIKey: MXCWVLPCPQZMFT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N4-O2

Molecular Weight

  • 264.327
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 81250-25-1

System Generated Number

  • 0081250251

Structure Descriptors

InChI

1S/C13H20N4O2/c1-5-6-16-12(18)10-11(15-9(4)14-10)17(13(16)19)7-8(2)3/h8H,5-7H2,1-4H3,(H,14,15)

InChIKey

MXCWVLPCPQZMFT-UHFFFAOYSA-N

Smiles

CCCn1c(=O)c2c(nc([nH]2)C)n(c1=O)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 19mg/kg (19mg/kg)   United States Patent Document. Vol. #4581451,