Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-chloro-4-fluorophenyl)ethenyl)-1,3-diethyl-7-methyl-,(E)-
RN: 155271-98-0
InChIKey: AYWHDMAWPYKXNU-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H18-Cl-F-N4-O2

Molecular Weight

  • 376.8172
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • (E)-8-(3-Chloro-4-fluorostyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-98-0

System Generated Number

  • 0155271980

Structure Descriptors

InChI

1S/C18H18ClFN4O2/c1-4-23-16-15(17(25)24(5-2)18(23)26)22(3)14(21-16)9-7-11-6-8-13(20)12(19)10-11/h6-10H,4-5H2,1-3H3/b9-7+

InChIKey

AYWHDMAWPYKXNU-VQHVLOKHSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(c(c3)Cl)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,