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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
RN: 147700-41-2
InChIKey: FSQZXSLHVPLXTR-MDZDMXLPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H23-N5-O4

Molecular Weight

  • 397.4327
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 147700-41-2

System Generated Number

  • 0147700412

Structure Descriptors

InChI

1S/C20H23N5O4/c1-4-11-23-18-17(19(26)24(12-5-2)20(23)27)22(3)16(21-18)10-9-14-7-6-8-15(13-14)25(28)29/h6-10,13H,4-5,11-12H2,1-3H3/b10-9+

InChIKey

FSQZXSLHVPLXTR-MDZDMXLPSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)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,