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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-propyl-
RN: 81250-24-0
InChIKey: QMRNVBQRDCPVDY-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-butyl-8-methylxanthine
  • 3,7-Dihydro-3-butyl-8-methyl-1-propyl-1H-purine-2,6-dione

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-8-methyl-1-propyl-

Registry Numbers

CAS Registry Number

  • 81250-24-0

System Generated Number

  • 0081250240

Structure Descriptors

InChI

1S/C13H20N4O2/c1-4-6-8-16-11-10(14-9(3)15-11)12(18)17(7-5-2)13(16)19/h4-8H2,1-3H3,(H,14,15)

InChIKey

QMRNVBQRDCPVDY-UHFFFAOYSA-N

Smiles

CCCCN1C(=O)N(CCC)C(=O)c2[nH]c(C)nc12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 91mg/kg (91mg/kg)   United States Patent Document. Vol. #4581451,
rat LD50 oral 15mg/kg (15mg/kg)   United States Patent Document. Vol. #4581451,