Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Theophylline, 7-(2-(benzylamino)ethyl)-, hydrochloride
RN: 1236-36-8
InChIKey: ZDYNLEXCQDOPCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formulas

  • C16-H19-N5-O2
  • C16-H19-N5-O2.Cl-H

Molecular Weight

  • 349.82
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 7-(2-(Benzylamino)ethyl)theophylline hydrochloride
  • 7-(beta-Benzyl-amino-aethyl)-theophyllin-hydrochlorid
  • 7-(beta-Benzyl-amino-aethyl)-theophyllin-hydrochlorid [German]
  • EINECS 214-977-8

Systematic Names

  • 7-(2-(Benzylamino)ethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
  • Theophylline, 7-(2-(benzylamino)ethyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 1236-36-8

System Generated Number

  • 0001236368

Molecular Formulas

Molecular Formulas

  • C16-H19-N5-O2
  • C16-H19-N5-O2.Cl-H

Molecular Formula Fragments

  • C16-H19-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H19N5O2.ClH/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12;/h3-7,11,17H,8-10H2,1-2H3;1H

InChIKey

ZDYNLEXCQDOPCC-UHFFFAOYSA-N

Smiles

Cl.CN1C(=O)N(C)c2ncn(CCNCc3ccccc3)c2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 69mg/kg (69mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 190, 1958.