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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-(2-nitrophenyl)-
RN: 72898-63-6
InChIKey: TUDUFYVNIDFZDR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H10-Cl-N5-O4

Molecular Weight

  • 335.706
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-8-chloro-1,3-dimethyl-7-(2-nitrophenyl)-1H-purine-2,6-dione
  • 5-26-14-00136 (Beilstein Handbook Reference)
  • 8-Cloro-7-(2-nitrofenil)teofillina
  • 8-Cloro-7-(2-nitrofenil)teofillina [Italian]
  • BRN 1229994
  • Theophylline, 8-chloro-7-(o-nitrophenyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72898-63-6

System Generated Number

  • 0072898636

Structure Descriptors

InChI

1S/C13H10ClN5O4/c1-16-10-9(11(20)17(2)13(16)21)18(12(14)15-10)7-5-3-4-6-8(7)19(22)23/h3-6H,1-2H3

InChIKey

TUDUFYVNIDFZDR-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)Cl)c3ccccc3[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 890, 1979.