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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-bromo-4,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl, (E)-
RN: 151539-51-4
InChIKey: CKBRAGQBHPLRNS-BQYQJAHWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Br-N4-O4

Molecular Weight

  • 477.3565
 
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Names and Synonyms

Synonym

  • (E)-8-(2-Bromo-4,5-dimethoxystyryl)-1,3-dipropylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-51-4

System Generated Number

  • 0151539514

Structure Descriptors

InChI

1S/C21H25BrN4O4/c1-5-9-25-19-18(20(27)26(10-6-2)21(25)28)23-17(24-19)8-7-13-11-15(29-3)16(30-4)12-14(13)22/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,23,24)/b8-7+

InChIKey

CKBRAGQBHPLRNS-BQYQJAHWSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)/C=C/c3cc(c(cc3Br)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,