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Substance Name: Theophylline, 7-(3-(4-allyl-1-piperazinyl)propyl)-, dihydrochloride
RN: 23237-83-4
InChIKey: KAZNKFKLAGFRMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H26-N6-O2.2Cl-H

Molecular Weight

  • 419.354
 
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Names and Synonyms

Synonyms

  • 7-(3-(4-Allyl-1-piperazinyl)propyl)theophylline dihydrochloride
  • Piperazine, 1-allyl-4-(1,3-dimethyl-7-xanthinyl)propyl-

Systematic Name

  • Theophylline, 7-(3-(4-allyl-1-piperazinyl)propyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 23237-83-4

System Generated Number

  • 0023237834

Molecular Formulas

Molecular Formula

  • C17-H26-N6-O2.2Cl-H

Molecular Formula Fragments

  • C17-H26-N6-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H26N6O2.2ClH/c1-4-6-21-9-11-22(12-10-21)7-5-8-23-13-18-15-14(23)16(24)20(3)17(25)19(15)2;;/h4,13H,1,5-12H2,2-3H3;2*1H

InChIKey

KAZNKFKLAGFRMW-UHFFFAOYSA-N

Smiles

n1(c2c(n(c(n(c2nc1)C)=O)C)=O)CCCN1CCN(CC1)CC=C.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 129mg/kg (129mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Yakugaku Zasshi. Journal of Pharmacy. Vol. 89, Pg. 771, 1969.