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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-hydroxyethyl)amino)-3-methyl-7-(2-phenoxyethyl)-
RN: 105522-57-4
InChIKey: SMCLVHVZVVGNSQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H19-N5-O4

Molecular Weight

  • 345.3571
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-8-((2-hydroxyethyl)amino)-3-methyl-7-(2-phenoxyethyl)-1H-purine-2,6-dione
  • 7-(2-Phenoxyethyl)-8-((2-hydroxyethyl)amino)-3-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 105522-57-4

System Generated Number

  • 0105522574

Structure Descriptors

InChI

1S/C16H19N5O4/c1-20-13-12(14(23)19-16(20)24)21(15(18-13)17-7-9-22)8-10-25-11-5-3-2-4-6-11/h2-6,22H,7-10H2,1H3,(H,17,18)(H,19,23,24)

InChIKey

SMCLVHVZVVGNSQ-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)NCCO)CCOc3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 595mg/kg (595mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 37, 1986.