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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1,8-dimethyl-
RN: 132560-13-5
InChIKey: GZDFOOAFMQSYOV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H20-N4-O2

Molecular Weight

  • 276.338
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-3-(cyclohexylmethyl)-1,8-dimethyl-1H-purine-2,6-dione
  • BRN 4201400
  • Xanthine, 3-(cyclohexylmethyl)-1,8-dimethyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 132560-13-5

System Generated Number

  • 0132560135

Structure Descriptors

InChI

1S/C14H20N4O2/c1-9-15-11-12(16-9)18(14(20)17(2)13(11)19)8-10-6-4-3-5-7-10/h10H,3-8H2,1-2H3,(H,15,16)

InChIKey

GZDFOOAFMQSYOV-UHFFFAOYSA-N

Smiles

Cc1[nH]c2c(n1)n(c(=O)n(c2=O)C)CC3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 208mg/kg (208mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.