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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
RN: 151539-50-3
InChIKey: OXBSWNUXZWSGFG-CSKARUKUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Br-N4-O3

Molecular Weight

  • 461.3575
 
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Names and Synonyms

Synonym

  • (E)-8-(3-Bromo-4-methoxystyryl)-7-methyl-1,3-dipropylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 151539-50-3

System Generated Number

  • 0151539503

Structure Descriptors

InChI

1S/C21H25BrN4O3/c1-5-11-25-19-18(20(27)26(12-6-2)21(25)28)24(3)17(23-19)10-8-14-7-9-16(29-4)15(22)13-14/h7-10,13H,5-6,11-12H2,1-4H3/b10-8+

InChIKey

OXBSWNUXZWSGFG-CSKARUKUSA-N

Smiles

CCCn1c2c(c(=O)n(c1=O)CCC)n(c(n2)/C=C/c3ccc(c(c3)Br)OC)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,