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Substance Name: Theophylline, 8-((2-aminoethyl)amino)-
RN: 14251-32-2
InChIKey: RUILVTDZEFWNPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H14-N6-O2

Molecular Weight

  • 238.2496
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 8-((2-aminoethyl)amino)-3,7-dihydro-1,3-dimethyl-
  • 8-((2-Aminoethyl)amino)theophylline
  • BRN 1005639
  • Theophylline ethylene-diamine
  • Theophylline ethylene-diamine [French]

Systematic Name

  • Theophylline, 8-((2-aminoethyl)amino)-

Registry Numbers

CAS Registry Number

  • 14251-32-2

System Generated Number

  • 0014251322

Structure Descriptors

InChI

1S/C9H14N6O2/c1-14-6-5(7(16)15(2)9(14)17)12-8(13-6)11-4-3-10/h3-4,10H2,1-2H3,(H2,11,12,13)

InChIKey

RUILVTDZEFWNPQ-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2nc(NCCN)[nH]c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 120mg/kg (120mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)		 Annales Pharmaceutiques Francaises. Vol. 22, Pg. 265, 1964.
mouse LD50 subcutaneous 180mg/kg (180mg/kg)   Annales Pharmaceutiques Francaises. Vol. 22, Pg. 265, 1964.