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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-, (E)-
RN: 155271-66-2
InChIKey: QMNCITQNVGVYRB-JXMROGBWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-F3-N4-O2

Molecular Weight

  • 378.3523
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-8-(4-trifluoromethylstyryl)xanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-66-2

System Generated Number

  • 0155271662

Structure Descriptors

InChI

1S/C18H17F3N4O2/c1-3-24-15-14(16(26)25(4-2)17(24)27)22-13(23-15)10-7-11-5-8-12(9-6-11)18(19,20)21/h5-10H,3-4H2,1-2H3,(H,22,23)/b10-7+

InChIKey

QMNCITQNVGVYRB-JXMROGBWSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3ccc(cc3)C(F)(F)F

Toxicity

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