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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(4,5-dimethoxy-2-nitrophenyl)ethenyl)-7-methyl-, (E)-
RN: 155271-55-9
InChIKey: ASQMWQITGQMCQB-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N5-O6

Molecular Weight

  • 429.4307
 
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Names and Synonyms

Synonym

  • (E)-8-(4,5-Dimethoxy-2-nitrostyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-55-9

System Generated Number

  • 0155271559

Structure Descriptors

InChI

1S/C20H23N5O6/c1-6-23-18-17(19(26)24(7-2)20(23)27)22(3)16(21-18)9-8-12-10-14(30-4)15(31-5)11-13(12)25(28)29/h8-11H,6-7H2,1-5H3/b9-8+

InChIKey

ASQMWQITGQMCQB-CMDGGOBGSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cc(c(cc3[N+](=O)[O-])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,