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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-diethyl-7-methyl-,(E)-
RN: 155271-49-1
InChIKey: ISPISQYWOXVRKJ-CSKARUKUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Br-N4-O3

Molecular Weight

  • 433.3039
 
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Names and Synonyms

Synonym

  • (E)-8-(3-Bromo-4-methoxystyryl)-1,3-diethyl-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155271-49-1

System Generated Number

  • 0155271491

Structure Descriptors

InChI

1S/C19H21BrN4O3/c1-5-23-17-16(18(25)24(6-2)19(23)26)22(3)15(21-17)10-8-12-7-9-14(27-4)13(20)11-12/h7-11H,5-6H2,1-4H3/b10-8+

InChIKey

ISPISQYWOXVRKJ-CSKARUKUSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)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,