Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate
RN: 69455-15-8
InChIKey: QUFZIKZTCWXCQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N6-O2.2Cl-H.2H2-O

Molecular Weight

  • 487.3852
 
* 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

Synonym

  • 9-Allyl-2-(4-piperonyl-1-piperazinyl)-9H-purine dihydrochloride dihydrate

Systematic Name

  • 9H-Purine, 9-allyl-2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, dihydrate

Registry Numbers

CAS Registry Number

  • 69455-15-8

System Generated Number

  • 0069455158

Molecular Formulas

Molecular Formula

  • C20-H22-N6-O2.2Cl-H.2H2-O

Molecular Formula Fragments

  • C20-H22-N6-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H22N6O2.2ClH.2H2O/c1-2-5-26-13-22-16-11-21-20(23-19(16)26)25-8-6-24(7-9-25)12-15-3-4-17-18(10-15)28-14-27-17;;;;/h2-4,10-11,13H,1,5-9,12,14H2;2*1H;2*1H2

InChIKey

QUFZIKZTCWXCQL-UHFFFAOYSA-N

Smiles

C=CCn1cnc2c1nc(nc2)N3CCN(CC3)Cc4ccc5c(c4)OCO5.O.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 400mg/kg (400mg/kg)   Chimica Therapeutica. Vol. 7, Pg. 192, 1972.