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Substance Name: Theophylline, 8-(3-piperidyl)-, hydrochloride
RN: 96434-26-3
InChIKey: DKRNEDDIZNOOSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H17-N5-O2.x-Cl-H

Molecular Weight

  • 299.7602
 
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Names and Synonyms

Synonyms

  • 8-(3-Piperidyl)theophylline hydrochloride
  • Chlorhydrate de piperidyl-3' theophylline
  • Chlorhydrate de piperidyl-3' theophylline [French]

Systematic Name

  • Theophylline, 8-(3-piperidyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 96434-26-3

System Generated Number

  • 0096434263

Molecular Formulas

Molecular Formula

  • C12-H17-N5-O2.x-Cl-H

Molecular Formula Fragments

  • C12-H17-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N5O2.ClH/c1-16-10-8(11(18)17(2)12(16)19)14-9(15-10)7-4-3-5-13-6-7;/h7,13H,3-6H2,1-2H3,(H,14,15);1H

InChIKey

DKRNEDDIZNOOSZ-UHFFFAOYSA-N

Smiles

Cl.CN1C(=O)N(C)c2nc([nH]c2C1=O)C3CCCNC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 142mg/kg (142mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)
Annales Pharmaceutiques Francaises. Vol. 22, Pg. 265, 1964.
mouse LD50 subcutaneous 1138mg/kg (1138mg/kg)   Annales Pharmaceutiques Francaises. Vol. 22, Pg. 265, 1964.