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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
RN: 155271-83-3
InChIKey: KSDKGGTYMBXKQX-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N5-O4

Molecular Weight

  • 369.3791
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Diethyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Diethyl-7-methyl-8-(3-nitrostyryl)xanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-83-3

System Generated Number

  • 0155271833

Structure Descriptors

InChI

1S/C18H19N5O4/c1-4-21-16-15(17(24)22(5-2)18(21)25)20(3)14(19-16)10-9-12-7-6-8-13(11-12)23(26)27/h6-11H,4-5H2,1-3H3/b10-9+

InChIKey

KSDKGGTYMBXKQX-MDZDMXLPSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3cccc(c3)[N+](=O)[O-])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,