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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-(2-(2,3-dimethyl-4-methoxyphenyl)ethenyl)-, (E)-
RN: 155271-16-2
InChIKey: YRUNUVOGMHQOPX-VQHVLOKHSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N4-O3

Molecular Weight

  • 340.381
 
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Names and Synonyms

Synonym

  • (E)-8-(4-Methoxy-2,3-dimethylstyryl)theophylline

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-16-2

System Generated Number

  • 0155271162

Structure Descriptors

InChI

1S/C18H20N4O3/c1-10-11(2)13(25-5)8-6-12(10)7-9-14-19-15-16(20-14)21(3)18(24)22(4)17(15)23/h6-9H,1-5H3,(H,19,20)/b9-7+

InChIKey

YRUNUVOGMHQOPX-VQHVLOKHSA-N

Smiles

Cc1c(c(ccc1/C=C/c2[nH]c3c(n2)n(c(=O)n(c3=O)C)C)OC)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,