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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-, (E)-, hydrate (2:1)
RN: 155271-26-4
InChIKey: YSMHNOXOHFXVFM-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N4-O2.1/2H2-O

Molecular Weight

  • 338.4088
 
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Names and Synonyms

Synonym

  • (E)-8-(2,5-Dimethylstyryl)-1,3-diethylxanthine hemihydrate

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethylphenyl)ethenyl)-, (E)-, hydrate (2:1)

Registry Numbers

CAS Registry Number

  • 155271-26-4

System Generated Number

  • 0155271264

Molecular Formulas

Molecular Formula

  • C19-H22-N4-O2.1/2H2-O

Molecular Formula Fragments

  • C19-H22-N4-O2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H22N4O2/c1-5-22-17-16(18(24)23(6-2)19(22)25)20-15(21-17)10-9-14-11-12(3)7-8-13(14)4/h7-11H,5-6H2,1-4H3,(H,20,21)/b10-9+

InChIKey

YSMHNOXOHFXVFM-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3cc(ccc3C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,