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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-
RN: 151539-43-4
InChIKey: NDCMNLITPRMCRS-FMIVXFBMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O3

Molecular Weight

  • 396.4882
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Dipropyl-8-(2-(4-propoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-8-(4-Propoxystyryl)-1,3-dipropylxanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 151539-43-4

System Generated Number

  • 0151539434

Structure Descriptors

InChI

1S/C22H28N4O3/c1-4-13-25-20-19(21(27)26(14-5-2)22(25)28)23-18(24-20)12-9-16-7-10-17(11-8-16)29-15-6-3/h7-12H,4-6,13-15H2,1-3H3,(H,23,24)/b12-9+

InChIKey

NDCMNLITPRMCRS-FMIVXFBMSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3ccc(cc3)OCCC

Toxicity

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