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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(phenylmethyl)-
RN: 63908-22-5
InChIKey: QLZYLBHFANJARQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N4-O2

Molecular Weight

  • 256.2638
 
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Names and Synonyms

Synonyms

  • BRN 1144332
  • Xanthine, 3-benzyl-1-methyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 63908-22-5

System Generated Number

  • 0063908225

Structure Descriptors

InChI

1S/C13H12N4O2/c1-16-12(18)10-11(15-8-14-10)17(13(16)19)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,14,15)

InChIKey

QLZYLBHFANJARQ-UHFFFAOYSA-N

Smiles

CN1C(=O)N(Cc2ccccc2)c3nc[nH]c3C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 392mg/kg (392mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.