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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(1-piperazinyl)ethyl)-, dihydrochloride
RN: 53499-66-4
InChIKey: GFEUKNCQYTZCBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H20-N6-O2.2Cl-H

Molecular Weight

  • 365.2628
 
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Names and Synonyms

Synonyms

  • 7-beta-Piperazinoethyltheophylline dihydrochloride
  • NSC 338290
  • Theophylline, 7-(2-(1-piperazinyl)ethyl)-, dihydrochloride

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(1-piperazinyl)ethyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 53499-66-4

System Generated Number

  • 0053499664

Molecular Formulas

Molecular Formula

  • C13-H20-N6-O2.2Cl-H

Molecular Formula Fragments

  • C13-H20-N6-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H20N6O2.2ClH/c1-16-11-10(12(20)17(2)13(16)21)19(9-15-11)8-7-18-5-3-14-4-6-18;;/h9,14H,3-8H2,1-2H3;2*1H

InChIKey

GFEUKNCQYTZCBX-UHFFFAOYSA-N

Smiles

Cl.Cl.CN1C(=O)N(C)c2ncn(CCN3CCNCC3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 725mg/kg (725mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmaceutica Jugoslavica. Vol. 24, Pg. 89, 1974.