Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-, dihydrobromide
RN: 53499-65-3
InChIKey: VEUDWKJPUNUZKN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-N6-O2.2Br-H

Molecular Weight

  • 498.2174
 
* 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

  • N(sup 1)-Theophyllinylethyl-N(sup 4)-(2-hydroxyethyl)piperazine dihydrobromide
  • Theophylline, 7-(2-(4-(2-hydroxyethyl)-1-piperazinyl)ethyl)-, dihydrobromide

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53499-65-3

System Generated Number

  • 0053499653

Molecular Formulas

Molecular Formula

  • C15-H24-N6-O2.2Br-H

Molecular Formula Fragments

  • Br-H
  • C15-H24-N6-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C15H24N6O3.2BrH/c1-17-13-12(14(23)18(2)15(17)24)21(11-16-13)8-7-19-3-5-20(6-4-19)9-10-22;;/h11,22H,3-10H2,1-2H3;2*1H

InChIKey

VEUDWKJPUNUZKN-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(cn2)CCN3CCN(CC3)CCO.Br.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1050mg/kg (1050mg/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.