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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-(trifluoromethoxy)phenyl)ethenyl)-, (E)-
RN: 155271-73-1
InChIKey: ZBNCAKGMWICTEQ-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H19-F3-N4-O3

Molecular Weight

  • 408.3781
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-73-1

System Generated Number

  • 0155271731

Structure Descriptors

InChI

1S/C19H19F3N4O3/c1-4-25-16-15(17(27)26(5-2)18(25)28)24(3)14(23-16)10-9-12-7-6-8-13(11-12)29-19(20,21)22/h6-11H,4-5H2,1-3H3/b10-9+

InChIKey

ZBNCAKGMWICTEQ-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cccc(c3)OC(F)(F)F)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,