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Substance Name: Theophylline, 7-(2-(propylamino)ethyl)-, hydrochloride
RN: 94523-42-9
InChIKey: YMUZMAHQNYIGKU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H19-N5-O2.Cl-H

Molecular Weight

  • 301.776
 
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Names and Synonyms

Synonyms

  • 7-(2-(Propylamino)ethyl)theophylline hydrochloride
  • 7-(beta-n-Propylamino-aethyl)-theophyllin-hydrochlorid
  • 7-(beta-n-Propylamino-aethyl)-theophyllin-hydrochlorid [German]

Systematic Name

  • Theophylline, 7-(2-(propylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 94523-42-9

System Generated Number

  • 0094523429

Molecular Formulas

Molecular Formula

  • C12-H19-N5-O2.Cl-H

Molecular Formula Fragments

  • C12-H19-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H19N5O2.ClH/c1-4-5-13-6-7-17-8-14-10-9(17)11(18)16(3)12(19)15(10)2;/h8,13H,4-7H2,1-3H3;1H

InChIKey

YMUZMAHQNYIGKU-UHFFFAOYSA-N

Smiles

Cl.CCCNCCn1cnc2N(C)C(=O)N(C)C(=O)c12

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 448mg/kg (448mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 190, 1958.