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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide
RN: 53499-64-2
InChIKey: VJFNTTOCFFPIRG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H22-N6-O2.Br-H

Molecular Weight

  • 387.2797
 
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Names and Synonyms

Synonyms

  • N(sup 1)-Theophyllinylethyl-N(sup 4)-methylpiperazine hydrobromide
  • Theophylline, 7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-methyl-1-piperazinyl)ethyl)-, hydrobromide

Registry Numbers

CAS Registry Number

  • 53499-64-2

System Generated Number

  • 0053499642

Molecular Formulas

Molecular Formula

  • C14-H22-N6-O2.Br-H

Molecular Formula Fragments

  • Br-H
  • C14-H22-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C14H22N6O2.BrH/c1-16-4-6-19(7-5-16)8-9-20-10-15-12-11(20)13(21)18(3)14(22)17(12)2;/h10H,4-9H2,1-3H3;1H

InChIKey

VJFNTTOCFFPIRG-UHFFFAOYSA-N

Smiles

Br.CN1CCN(CCn2cnc3N(C)C(=O)N(C)C(=O)c23)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 900mg/kg (900mg/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.