Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Pyrimidine, 2-(4-(3,4-(methylenedioxy)phenethyl)-1-piperazinyl)-, dihydrochloride, hydrate
RN: 21279-52-7
InChIKey: FBPQSBHEZNDTBB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H20-N4-O2.2Cl-H.H2-O

Molecular Weight

  • 385.293
 
* 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

  • 2-(4-(3,4-(Methylenedioxy)phenethyl)-1-piperazinyl)pyrimidine dihydrochloride hydrate

Systematic Name

  • Pyrimidine, 2-(4-(3,4-(methylenedioxy)phenethyl)-1-piperazinyl)-, dihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 21279-52-7

System Generated Number

  • 0021279527

Molecular Formulas

Molecular Formula

  • C17-H20-N4-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C17-H20-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C17H20N4O2.2ClH/c1-5-18-17(19-6-1)21-10-8-20(9-11-21)7-4-14-2-3-15-16(12-14)23-13-22-15;;/h1-3,5-6,12H,4,7-11,13H2;2*1H

InChIKey

FBPQSBHEZNDTBB-UHFFFAOYSA-N

Smiles

c1(ncccn1)N1CCN(CC1)CCc1cc2c(cc1)OCO2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1151, 1968.
mouse LD50 intraperitoneal 400mg/kg (400mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 11, Pg. 1151, 1968.