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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(1-methyl-2-phenylethenyl)-, (E)-
RN: 155271-64-0
InChIKey: JXLRMWITUUCWBG-VAWYXSNFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O2

Molecular Weight

  • 324.382
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(1-methyl-2-phenylethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(alpha-methylstyryl)xanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(1-methyl-2-phenylethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-64-0

System Generated Number

  • 0155271640

Structure Descriptors

InChI

1S/C18H20N4O2/c1-4-21-16-14(17(23)22(5-2)18(21)24)19-15(20-16)12(3)11-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3,(H,19,20)/b12-11+

InChIKey

JXLRMWITUUCWBG-VAWYXSNFSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C(=C/c3ccccc3)/C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,