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Substance Name: 1-Propanone, 1-(4-((2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl)thio)phenyl)-, (+-)-
RN: 36115-60-3
InChIKey: SXDCKORUIGFXIX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O2-S

Molecular Weight

  • 384.541
 
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Names and Synonyms

Synonyms

  • (+-)-1-(4-((2-Hydroxy-3-(4-phenyl-1-piperazinyl)propyl)thio)phenyl)-1-propanone
  • 5-23-02-00152 (Beilstein Handbook Reference)
  • BRN 0576661

Systematic Name

  • 1-Propanone, 1-(4-((2-hydroxy-3-(4-phenyl-1-piperazinyl)propyl)thio)phenyl)-, (+-)-

Registry Numbers

CAS Registry Number

  • 36115-60-3

System Generated Number

  • 0036115603

Structure Descriptors

InChI

1S/C22H28N2O2S/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3

InChIKey

SXDCKORUIGFXIX-UHFFFAOYSA-N

Smiles

C(CC)(=O)c1ccc(cc1)SC[C@@H](CN1CCN(CC1)c1ccccc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 301, 1972.