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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(diethylamino)ethyl)-1,3-dimethyl-8-((1-(hydroxymethyl)propyl)amino)-, monohydrochloride, (+-)-
RN: 119256-88-1
InChIKey: QEFHGOPYVPSIMT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H30-N6-O3.Cl-H

Molecular Weight

  • 402.9239
 
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Names and Synonyms

Synonym

  • (RS)-7-beta-Diethylaminoethyl-8-(1'-hydroxybut-2'-yl)aminotheophylline hydrochloride

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(diethylamino)ethyl)-1,3-dimethyl-8-((1-(hydroxymethyl)propyl)amino)-, monohydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 119256-88-1

System Generated Number

  • 0119256881

Molecular Formulas

Molecular Formula

  • C17-H30-N6-O3.Cl-H

Molecular Formula Fragments

  • C17-H30-N6-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H30N6O3.ClH/c1-6-12(11-24)18-16-19-14-13(15(25)21(5)17(26)20(14)4)23(16)10-9-22(7-2)8-3;/h12,24H,6-11H2,1-5H3,(H,18,19);1H

InChIKey

QEFHGOPYVPSIMT-UHFFFAOYSA-N

Smiles

Cl.CCC(CO)Nc1nc2N(C)C(=O)N(C)C(=O)c2n1CCN(CC)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 420mg/kg (420mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 40, Pg. 321, 1988.