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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-
RN: 141807-97-8
InChIKey: WTWPCLLAFIHNPC-CMDGGOBGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N4-O5

Molecular Weight

  • 428.4862
 
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Names and Synonyms

Synonyms

  • (E)-1,3-Dipropyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione
  • (E)-1,3-Dipropyl-8-(3,4,5-trimethoxystyryl)xanthine

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-

Registry Numbers

CAS Registry Number

  • 141807-97-8

System Generated Number

  • 0141807978

Structure Descriptors

InChI

1S/C22H28N4O5/c1-6-10-25-20-18(21(27)26(11-7-2)22(25)28)23-17(24-20)9-8-14-12-15(29-3)19(31-5)16(13-14)30-4/h8-9,12-13H,6-7,10-11H2,1-5H3,(H,23,24)/b9-8+

InChIKey

WTWPCLLAFIHNPC-CMDGGOBGSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3cc(c(c(c3)OC)OC)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5543415,