Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-chlorophenyl)-1,3-dimethyl-
RN: 72898-69-2
InChIKey: YRAOHHIWNBWNFO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H11-Cl-N4-O2

Molecular Weight

  • 290.7089
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-(2-chlorophenyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 5-26-13-00566 (Beilstein Handbook Reference)
  • BRN 1152599
  • Theophylline, 7-(o-chlorophenyl)-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 72898-69-2

System Generated Number

  • 0072898692

Structure Descriptors

InChI

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

InChIKey

YRAOHHIWNBWNFO-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2ncn(c2C1=O)c3ccccc3Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 200mg/kg (200mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 890, 1979.