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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-
RN: 58481-29-1
InChIKey: KDUYSPNLZTVJTB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H19-Cl-N4-O2

Molecular Weight

  • 346.8161
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-1H-purine-2,6-dione
  • 5-26-13-00568 (Beilstein Handbook Reference)
  • BRN 1170992
  • Xanthine, 7-(p-chlorobenzyl)-3-isobutyl-1-methyl-

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-((4-chlorophenyl)methyl)-1-methyl-3-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 58481-29-1

System Generated Number

  • 0058481291

Structure Descriptors

InChI

1S/C17H19ClN4O2/c1-11(2)8-22-15-14(16(23)20(3)17(22)24)21(10-19-15)9-12-4-6-13(18)7-5-12/h4-7,10-11H,8-9H2,1-3H3

InChIKey

KDUYSPNLZTVJTB-UHFFFAOYSA-N

Smiles

CC(C)Cn1c2c(c(=O)n(c1=O)C)n(cn2)Cc3ccc(cc3)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 503mg/kg (503mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.