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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,8-dimethyl-3-(2-methylbutyl)-
RN: 65029-11-0
InChIKey: MTBUJUHRXVGLEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N4-O2

Molecular Weight

  • 250.3002
 
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Names and Synonyms

Synonyms

  • 1,8-Dimethyl-3-(2-methyl-1-butyl)xanthine
  • 3,7-Dihydro-1,8-dimethyl-3-(2-methylbutyl)-1H-purine-2,6-dione

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,8-dimethyl-3-(2-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 65029-11-0

System Generated Number

  • 0065029110

Structure Descriptors

InChI

1S/C12H18N4O2/c1-5-7(2)6-16-10-9(13-8(3)14-10)11(17)15(4)12(16)18/h7H,5-6H2,1-4H3,(H,13,14)

InChIKey

MTBUJUHRXVGLEF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 21700ug/kg (21.7mg/kg)   United States Patent Document. Vol. #4089959,
mouse LD50 oral 60600ug/kg (60.6mg/kg)   United States Patent Document. Vol. #4120947,
rat LD50 intraperitoneal 24600ug/kg (24.6mg/kg)   United States Patent Document. Vol. #4089959,
rat LD50 oral 88700ug/kg (88.7mg/kg)   United States Patent Document. Vol. #4089959,