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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-1,3-dimethyl-7-(2-(4-ethylphenyl)-2-oxoethyl)-
RN: 96885-28-8
InChIKey: AWIGUZKVXQXREY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-Br-N4-O3

Molecular Weight

  • 405.2503
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-8-bromo-1,3-dimethyl-7-(2-(4-ethylphenyl)-2-oxoethyl)-1H-purine-2,6-dione
  • BRN 5633841
  • p-Ethylbenzoylmethyl-8-bromotheophylline

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-1,3-dimethyl-7-(2-(4-ethylphenyl)-2-oxoethyl)-

Registry Numbers

CAS Registry Number

  • 96885-28-8

System Generated Number

  • 0096885288

Structure Descriptors

InChI

1S/C17H17BrN4O3/c1-4-10-5-7-11(8-6-10)12(23)9-22-13-14(19-16(22)18)20(2)17(25)21(3)15(13)24/h5-8H,4,9H2,1-3H3

InChIKey

AWIGUZKVXQXREY-UHFFFAOYSA-N

Smiles

n1(c(nc2n(c(n(c(c12)=O)C)=O)C)Br)CC(=O)c1ccc(cc1)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 740mg/kg (740mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: OTHER CHANGES
Pharmaceutical Chemistry Journal Vol. 18, Pg. 823, 1984.