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Substance Name: Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride
RN: 59663-16-0
InChIKey: DLNADAIKQPQJQH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-N5-O3.Cl-H

Molecular Weight

  • 275.6946
 
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Names and Synonyms

Synonyms

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-(aminooxy)ethyl)-1,3-dimethyl-, hydrochloride
  • 7-beta-Aminooxyethyltheophylline hydrochloride

Systematic Name

  • Theophylline, 7-(2-(aminooxy)ethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 59663-16-0

System Generated Number

  • 0059663160

Molecular Formulas

Molecular Formula

  • C9-H13-N5-O3.Cl-H

Molecular Formula Fragments

  • C9-H13-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13N5O3.ClH/c1-12-7-6(8(15)13(2)9(12)16)14(5-11-7)3-4-17-10;/h5H,3-4,10H2,1-2H3;1H

InChIKey

DLNADAIKQPQJQH-UHFFFAOYSA-N

Smiles

Cl.CN1C(=O)N(C)c2ncn(CCON)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 710mg/kg (710mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Acta Pharmaceutica Jugoslavica. Vol. 26, Pg. 125, 1976.