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Substance Name: Theophylline, 7-(2-hydroxypropoxy)-
RN: 19729-83-0
InChIKey: FQDAAPOUQOEUCR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H14-N4-O4

Molecular Weight

  • 254.2446
 
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Names and Synonyms

Synonyms

  • 7-(2-Hydroxypropoxy)theophylline
  • 7-(beta-Hydroxypropoxy)theophylline
  • GD 094

Systematic Name

  • Theophylline, 7-(2-hydroxypropoxy)-

Registry Numbers

CAS Registry Number

  • 19729-83-0

System Generated Number

  • 0019729830

Structure Descriptors

InChI

1S/C10H14N4O4/c1-6(15)4-18-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3

InChIKey

FQDAAPOUQOEUCR-UHFFFAOYSA-N

Smiles

CC(O)COn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 352mg/kg (352mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Biologica et Medica Germanica. Vol. 21, Pg. 501, 1968.