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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-phenyl-1,3-dimethyl-
RN: 960-61-2
InChIKey: PKLJTMFBRDTQNH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-N4-O2

Molecular Weight

  • 256.2638
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-phenyl-1,3-dimethyl-1H-purine-2,6-dione
  • 5-26-13-00566 (Beilstein Handbook Reference)
  • BRN 0553490
  • Theophylline, 7-phenyl-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 960-61-2

System Generated Number

  • 0000960612

Structure Descriptors

InChI

1S/C13H12N4O2/c1-15-11-10(12(18)16(2)13(15)19)17(8-14-11)9-6-4-3-5-7-9/h3-8H,1-2H3

InChIKey

PKLJTMFBRDTQNH-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(c3ccccc3)c2C1=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.