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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-chlorophenyl)-8-chloro-1,3-dimethyl-
RN: 72898-67-0
InChIKey: QQAZJBGNSKQKHR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-Cl2-N5-O2

Molecular Weight

  • 340.1689
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-(4-amino-2-chlorophenyl)-8-chloro-1,3-dimethyl-1H-purine-2,6-dione
  • 5-26-14-00138 (Beilstein Handbook Reference)
  • BRN 1171879
  • Theophylline, 7-(4-amino-2-chlorophenyl)-8-chloro-

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-chlorophenyl)-8-chloro-1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 72898-67-0

System Generated Number

  • 0072898670

Structure Descriptors

InChI

1S/C13H11Cl2N5O2/c1-18-10-9(11(21)19(2)13(18)22)20(12(15)17-10)8-4-3-6(16)5-7(8)14/h3-5H,16H2,1-2H3

InChIKey

QQAZJBGNSKQKHR-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Cl)c3ccc(cc3Cl)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 350mg/kg (350mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 890, 1979.