Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1H-Purine-2,6-dione, 8-(aminomethyl)-3,7-dihydro-1,3-dimethyl-, monohydrochloride
RN: 35718-21-9
InChIKey: QKIPSGGEZYHRBG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H11-N5-O2.Cl-H

Molecular Weight

  • 245.6688
 
* 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

  • 8-(Aminomethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride
  • 8-Aminomethyl-1,3-dimethylxanthine hydrochloride
  • Theophylline, 8-(aminomethyl)-, monohydrochloride

Systematic Name

  • 1H-Purine-2,6-dione, 8-(aminomethyl)-3,7-dihydro-1,3-dimethyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 35718-21-9

System Generated Number

  • 0035718219

Molecular Formulas

Molecular Formula

  • C8-H11-N5-O2.Cl-H

Molecular Formula Fragments

  • C8-H11-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C8H11N5O2.ClH/c1-12-6-5(10-4(3-9)11-6)7(14)13(2)8(12)15;/h3,9H2,1-2H3,(H,10,11);1H

InChIKey

QKIPSGGEZYHRBG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 400mg/kg (400mg/kg)   Farmaco, Edizione Scientifica. Vol. 26, Pg. 1036, 1971.