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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-nitrophenyl)-
RN: 72898-60-3
InChIKey: AWIVQTBVNQOGFV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-N5-O4

Molecular Weight

  • 301.2609
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-7-(2-nitrophenyl)-1H-purine-2,6-dione
  • 5-26-13-00566 (Beilstein Handbook Reference)
  • 7-(2-Nitrofenil)teofillina
  • 7-(2-Nitrofenil)teofillina [Italian]
  • BRN 1164480
  • Theophylline, 7-(o-nitrophenyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72898-60-3

System Generated Number

  • 0072898603

Structure Descriptors

InChI

1S/C13H11N5O4/c1-15-11-10(12(19)16(2)13(15)20)17(7-14-11)8-5-3-4-6-9(8)18(21)22/h3-7H,1-2H3

InChIKey

AWIVQTBVNQOGFV-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)c3ccccc3[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 890, 1979.