Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Butanone, 1-(4-fluorobenzoyl)-4-(4-(2-hydroxy-3-(phenylthio)propyl)-1-piperazinyl)-, dihydrochloride
RN: 40943-95-1
InChIKey: PHPUOMKQRFCFGM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-F-N2-O2-S.2Cl-H

Molecular Weight

  • 489.4799
 
* 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

  • 1-(4-Fluorobenzoyl)-4-(4-(2-hydroxy-3-(phenylthio)propyl)-1-piperazinyl)-1-butanone 2HCl
  • N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-phenylthio-2-hydroxypropyl)piperazine dihydrochloride

Systematic Name

  • 1-Butanone, 1-(4-fluorobenzoyl)-4-(4-(2-hydroxy-3-(phenylthio)propyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 40943-95-1

System Generated Number

  • 0040943951

Molecular Formulas

Molecular Formula

  • C23-H29-F-N2-O2-S.2Cl-H

Molecular Formula Fragments

  • C23-H29-F-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29FN2O2S.2ClH/c24-20-10-8-19(9-11-20)23(28)7-4-12-25-13-15-26(16-14-25)17-21(27)18-29-22-5-2-1-3-6-22;;/h1-3,5-6,8-11,21,27H,4,7,12-18H2;2*1H

InChIKey

PHPUOMKQRFCFGM-UHFFFAOYSA-N

Smiles

c1ccc(cc1)SCC(CN2CCN(CC2)CCCC(=O)c3ccc(cc3)F)O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 841mg/kg (841mg/kg)   United States Patent Document. Vol. #3869459,