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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)-
RN: 105522-58-5
InChIKey: SIYFFUFRWMYNJE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H23-N5-O3

Molecular Weight

  • 357.4117
 
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Names and Synonyms

Synonyms

  • 7-(2-Phenoxyethyl)-8-(diethylamino)-3-methylxanthine
  • 8-(Diethylamino)-3,7-dihydro-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6-dione

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(diethylamino)-3-methyl-7-(2-phenoxyethyl)-

Registry Numbers

CAS Registry Number

  • 105522-58-5

System Generated Number

  • 0105522585

Structure Descriptors

InChI

1S/C18H23N5O3/c1-4-22(5-2)17-19-15-14(16(24)20-18(25)21(15)3)23(17)11-12-26-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H,20,24,25)

InChIKey

SIYFFUFRWMYNJE-UHFFFAOYSA-N

Smiles

CCN(CC)c1nc2c(n1CCOc3ccccc3)c(=O)[nH]c(=O)n2C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 606mg/kg (606mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 37, 1986.