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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-difluorophenyl)ethenyl)-7-methyl-, (E)-
RN: 155271-81-1
InChIKey: MNSONRQXYWPMLD-VOTSOKGWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-F2-N4-O2

Molecular Weight

  • 360.3622
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-8-(2-(3,5-difluorophenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(3,5-Difluorostyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3,5-difluorophenyl)ethenyl)-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-81-1

System Generated Number

  • 0155271811

Structure Descriptors

InChI

1S/C18H18F2N4O2/c1-4-23-16-15(17(25)24(5-2)18(23)26)22(3)14(21-16)7-6-11-8-12(19)10-13(20)9-11/h6-10H,4-5H2,1-3H3/b7-6+

InChIKey

MNSONRQXYWPMLD-VOTSOKGWSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc(cc(c3)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,