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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dimethyl-, (E)-
RN: 155271-24-2
InChIKey: KPQRKNLALMDFBS-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O4

Molecular Weight

  • 356.38
 
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Names and Synonyms

Synonym

  • (E)-8-(2,4-Dimethoxy-3-methylstyryl)theophylline

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dimethyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-24-2

System Generated Number

  • 0155271242

Structure Descriptors

InChI

1S/C18H20N4O4/c1-10-12(25-4)8-6-11(15(10)26-5)7-9-13-19-14-16(20-13)21(2)18(24)22(3)17(14)23/h6-9H,1-5H3,(H,19,20)/b9-7+

InChIKey

KPQRKNLALMDFBS-VQHVLOKHSA-N

Smiles

Cc1c(ccc(c1OC)/C=C/c2[nH]c3c(n2)n(c(=O)n(c3=O)C)C)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,