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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)ethenyl)-1,3-diethyl-7-methyl-, (E)-
RN: 155271-43-5
InChIKey: ATRRRYKPCKZLQE-PKNBQFBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-Cl-N4-O4

Molecular Weight

  • 418.8787
 
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Names and Synonyms

Synonym

  • (E)-8-(2-Chloro-3,4-dimethoxystyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-43-5

System Generated Number

  • 0155271435

Structure Descriptors

InChI

1S/C20H23ClN4O4/c1-6-24-18-16(19(26)25(7-2)20(24)27)23(3)14(22-18)11-9-12-8-10-13(28-4)17(29-5)15(12)21/h8-11H,6-7H2,1-5H3/b11-9+

InChIKey

ATRRRYKPCKZLQE-PKNBQFBNSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(c(c3Cl)OC)OC)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,