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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-
RN: 155271-09-3
InChIKey: KLIDVSSHQJVUSP-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N4-O3

Molecular Weight

  • 382.4614
 
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Names and Synonyms

Synonym

  • (E)-1,3-Diethyl-8-(4-methoxy-2,5-dimethylstyryl)-7-methylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(2,5-dimethyl-4-methoxy)phenyl)ethenyl)-7-methyl-, (E)-

Registry Numbers

CAS Registry Number

  • 155271-09-3

System Generated Number

  • 0155271093

Structure Descriptors

InChI

1S/C21H26N4O3/c1-7-24-19-18(20(26)25(8-2)21(24)27)23(5)17(22-19)10-9-15-11-14(4)16(28-6)12-13(15)3/h9-12H,7-8H2,1-6H3/b10-9+

InChIKey

KLIDVSSHQJVUSP-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc(c(cc3C)OC)C)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,