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Substance Name: 1H-Purine-2,6-dione, 8-cyclobutyl-3,4-dihydro-1,3-dimethyl- (9CI)
RN: 35873-48-4
InChIKey: OBURDMXZDVFAKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H14-N4-O2

Molecular Weight

  • 234.2576
 
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Names and Synonyms

Synonyms

  • 8-Cyclobutyl theophylline
  • 8-Cyclobutyltheophylline
  • BRN 1131917
  • NSC 101798
  • Xanthine, 3-cyclobutyl-1,3-dimethyl-

Systematic Names

  • 1H-Purine-2,6-dione, 8-cyclobutyl-3,4-dihydro-1,3-dimethyl- (9CI)
  • Theophylline, 8-cyclobutyl-

Registry Numbers

CAS Registry Number

  • 35873-48-4

System Generated Number

  • 0035873484

Structure Descriptors

InChI

1S/C11H14N4O2/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-6/h6H,3-5H2,1-2H3,(H,12,13)

InChIKey

OBURDMXZDVFAKK-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)nc([nH]2)C3CCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 1202, 1971.