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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(4-trifluoromethylphenyl)ethenyl)-,(E)-
RN: 155271-67-3
InChIKey: AZHRXYXTOVFJRW-DHZHZOJOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-F3-N4-O2

Molecular Weight

  • 392.3791
 
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Names and Synonyms

Synonym

  • (E)-1,3-Diethyl-7-methyl-8-(4-trifluoromethylstyryl)xanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-67-3

System Generated Number

  • 0155271673

Structure Descriptors

InChI

1S/C19H19F3N4O2/c1-4-25-16-15(17(27)26(5-2)18(25)28)24(3)14(23-16)11-8-12-6-9-13(10-7-12)19(20,21)22/h6-11H,4-5H2,1-3H3/b11-8+

InChIKey

AZHRXYXTOVFJRW-DHZHZOJOSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(cc3)C(F)(F)F)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,