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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-, (E)-
RN: 155271-42-4
InChIKey: ZNDCDCSHKOAZIS-CSKARUKUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N4-O4

Molecular Weight

  • 404.8519
 
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Names and Synonyms

Synonym

  • (E)-8-(2-Chloro-3,4-dimethoxystyryl)-1,3-diethylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-42-4

System Generated Number

  • 0155271424

Structure Descriptors

InChI

1S/C19H21ClN4O4/c1-5-23-17-15(18(25)24(6-2)19(23)26)21-13(22-17)10-8-11-7-9-12(27-3)16(28-4)14(11)20/h7-10H,5-6H2,1-4H3,(H,21,22)/b10-8+

InChIKey

ZNDCDCSHKOAZIS-CSKARUKUSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)[nH]c(n2)/C=C/c3ccc(c(c3Cl)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,