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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-3-(2-methylpropyl)-
RN: 63908-37-2
InChIKey: MUTOERQVXAXVTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H12-N4-O2

Molecular Weight

  • 208.2198
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-3-(2-methylpropyl)-1H-purine-2,6-dione
  • 3-Isobutylxanthine
  • BRN 0538505
  • D 4030

Systematic Names

  • 1H-Purine-2,6-dione, 3,7-dihydro-3-(2-methylpropyl)-
  • Xanthine, 3-isobutyl- (7CI)

Registry Numbers

CAS Registry Number

  • 63908-37-2

System Generated Number

  • 0063908372

Structure Descriptors

InChI

1S/C9H12N4O2/c1-5(2)3-13-7-6(10-4-11-7)8(14)12-9(13)15/h4-5H,3H2,1-2H3,(H,10,11)(H,12,14,15)

InChIKey

MUTOERQVXAXVTM-UHFFFAOYSA-N

Smiles

CC(C)Cn1c2c(c(=O)[nH]c1=O)[nH]cn2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 109mg/kg (109mg/kg)   United States Patent Document. Vol. #4325956,
mouse LD50 oral 304mg/kg (304mg/kg)   United States Patent Document. Vol. #4325956,