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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-1-methyl-
RN: 132560-03-3
InChIKey: NPFNTAWQXGFSCE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N4-O2

Molecular Weight

  • 262.3112
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-3-(cyclohexylmethyl)-1-methyl-1H-purine-2,6-dione
  • BRN 4200222
  • Xanthine, 3-(cyclohexylmethyl)-1-methyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 132560-03-3

System Generated Number

  • 0132560033

Structure Descriptors

InChI

1S/C13H18N4O2/c1-16-12(18)10-11(15-8-14-10)17(13(16)19)7-9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H,14,15)

InChIKey

NPFNTAWQXGFSCE-UHFFFAOYSA-N

Smiles

Cn1c(=O)c2c(nc[nH]2)n(c1=O)CC3CCCCC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.