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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-chlorophenyl)-1,3-dimethyl-
RN: 72898-65-8
InChIKey: KZSNKELONYOZRJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H12-Cl-N5-O2

Molecular Weight

  • 305.724
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-(4-amino-2-chlorophenyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 5-26-14-00037 (Beilstein Handbook Reference)
  • BRN 1163301
  • Theophylline, 7-(4-amino-2-chlorophenyl)-

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(4-amino-2-chlorophenyl)-1,3-dimethyl-

Registry Numbers

CAS Registry Number

  • 72898-65-8

System Generated Number

  • 0072898658

Structure Descriptors

InChI

1S/C13H12ClN5O2/c1-17-11-10(12(20)18(2)13(17)21)19(6-16-11)9-4-3-7(15)5-8(9)14/h3-6H,15H2,1-2H3

InChIKey

KZSNKELONYOZRJ-UHFFFAOYSA-N

Smiles

c12c(n(c(=O)n(c2=O)C)C)ncn1c1c(cc(cc1)N)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   Farmaco, Edizione Scientifica. Vol. 34, Pg. 890, 1979.