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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-phenyl-
RN: 132560-05-5
InChIKey: HCBWJGREGVJNPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H10-N4-O2

Molecular Weight

  • 242.237
 
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Names and Synonyms

Synonyms

  • 4-26-00-02354 (Beilstein Handbook Reference)
  • BRN 0254962
  • Xanthine, 1-methyl-3-phenyl-

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-phenyl-

Registry Numbers

CAS Registry Number

  • 132560-05-5

System Generated Number

  • 0132560055

Structure Descriptors

InChI

1S/C12H10N4O2/c1-15-11(17)9-10(14-7-13-9)16(12(15)18)8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)

InChIKey

HCBWJGREGVJNPN-UHFFFAOYSA-N

Smiles

Cn1c(=O)c2c(nc[nH]2)n(c1=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 470mg/kg (470mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.