Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 7-Benzyl-8-(2-n-butylaminoethyl)aminotheophylline HCl
RN: 130187-60-9
InChIKey: HQGQMQAPAZRMQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N6-O2.Cl-H

Molecular Weight

  • 420.9421
 
* 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

Results Name

  • 7-Benzyl-8-(2-n-butylaminoethyl)aminotheophylline HCl

Synonym

  • 7-Benzyl-8-(2-n-butylaminoethyl)aminotheophylline hydrochloride

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-((2-(butylamino)ethyl)amino)-1,3-dimethyl-7-(phenylmethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 130187-60-9

System Generated Number

  • 0130187609

Molecular Formulas

Molecular Formula

  • C20-H28-N6-O2.Cl-H

Molecular Formula Fragments

  • C20-H28-N6-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H28N6O2.ClH/c1-4-5-11-21-12-13-22-19-23-17-16(18(27)25(3)20(28)24(17)2)26(19)14-15-9-7-6-8-10-15;/h6-10,21H,4-5,11-14H2,1-3H3,(H,22,23);1H

InChIKey

HQGQMQAPAZRMQW-UHFFFAOYSA-N

Smiles

CCCCNCCNc1nc2c(n1Cc3ccccc3)c(=O)n(c(=O)n2C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 131mg/kg (131mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 385, 1989.