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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-3-(2-methylpropyl)-7-(phenylmethyl)-
RN: 58481-23-5
InChIKey: GNMXTSLAYORZNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N4-O2

Molecular Weight

  • 312.371
 
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Names and Synonyms

Synonyms

  • 5-26-13-00568 (Beilstein Handbook Reference)
  • BRN 1229021
  • Xanthine, 7-benzyl-3-isobutyl-1-methyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 58481-23-5

System Generated Number

  • 0058481235

Structure Descriptors

InChI

1S/C17H20N4O2/c1-12(2)9-21-15-14(16(22)19(3)17(21)23)20(11-18-15)10-13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3

InChIKey

GNMXTSLAYORZNW-UHFFFAOYSA-N

Smiles

CC(C)Cn1c2c(c(=O)n(c1=O)C)n(cn2)Cc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.