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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-phenylethyl)-
RN: 132560-06-6
InChIKey: ICAXBBVKDJEQCZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H14-N4-O2

Molecular Weight

  • 270.2906
 
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Names and Synonyms

Synonyms

  • BRN 4202435
  • Xanthine, 1-methyl-3-phenethyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 132560-06-6

System Generated Number

  • 0132560066

Structure Descriptors

InChI

1S/C14H14N4O2/c1-17-13(19)11-12(16-9-15-11)18(14(17)20)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,16)

InChIKey

ICAXBBVKDJEQCZ-UHFFFAOYSA-N

Smiles

Cn1c(=O)c2c(nc[nH]2)n(c1=O)CCc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 445mg/kg (445mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.