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Substance Name: 8-Chloro-7-phenyltheophylline
RN: 963-42-8
InChIKey: JZKVPVQCAZFKJT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-Cl-N4-O2

Molecular Weight

  • 290.7089
 
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Names and Synonyms

Results Name

  • 8-Chloro-7-phenyltheophylline

Synonyms

  • 3,7-Dihydro-8-chloro-1,3-dimethyl-7-phenyl-1H-purine-2,6-dione
  • 5-26-14-00136 (Beilstein Handbook Reference)
  • BRN 0561092
  • Theophylline, 8-chloro-7-phenyl-

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-chloro-1,3-dimethyl-7-phenyl-

Registry Numbers

CAS Registry Number

  • 963-42-8

System Generated Number

  • 0000963428

Structure Descriptors

InChI

1S/C13H11ClN4O2/c1-16-10-9(11(19)17(2)13(16)20)18(12(14)15-10)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

JZKVPVQCAZFKJT-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2nc(Cl)n(c3ccccc3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 890, 1979.