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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(4-bromobutoxy)phenyl)ethenyl)-1,3-diethyl-7-methyl-,(E)-
RN: 155272-07-4
InChIKey: ZXLWUYGUMUAQQJ-JLHYYAGUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-Br-N4-O3

Molecular Weight

  • 475.3843
 
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Names and Synonyms

Synonym

  • (E)-8-(4-(4-bromobutoxy)styryl)-1,3-diethyl-7-methylxanthine

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155272-07-4

System Generated Number

  • 0155272074

Structure Descriptors

InChI

1S/C22H27BrN4O3/c1-4-26-20-19(21(28)27(5-2)22(26)29)25(3)18(24-20)13-10-16-8-11-17(12-9-16)30-15-7-6-14-23/h8-13H,4-7,14-15H2,1-3H3/b13-10+

InChIKey

ZXLWUYGUMUAQQJ-JLHYYAGUSA-N

Smiles

CCn1c2c(c(=O)n(c1=O)CC)n(c(n2)/C=C/c3ccc(cc3)OCCCCBr)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,