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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-nitrophenyl)ethenyl)-, (E)-
RN: 151539-32-1
InChIKey: OQURVXLRSYSXCY-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N5-O4

Molecular Weight

  • 383.4059
 
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Names and Synonyms

Synonyms

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-32-1

System Generated Number

  • 0151539321

Structure Descriptors

InChI

1S/C19H21N5O4/c1-3-10-22-17-16(18(25)23(11-4-2)19(22)26)20-15(21-17)9-8-13-6-5-7-14(12-13)24(27)28/h5-9,12H,3-4,10-11H2,1-2H3,(H,20,21)/b9-8+

InChIKey

OQURVXLRSYSXCY-CMDGGOBGSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3cccc(c3)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5543415,