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Substance Name: Ethanone, 1-(5-bromo-2-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
RN: 79010-20-1
InChIKey: JTLCDLCQBTWCAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Br-N2-O3

Molecular Weight

  • 433.3435
 
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Names and Synonyms

Synonyms

  • 1-(5-Bromo-2-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)ethanone
  • BRN 4555131

Systematic Name

  • Ethanone, 1-(5-bromo-2-(2-hydroxy-3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-

Registry Numbers

CAS Registry Number

  • 79010-20-1

System Generated Number

  • 0079010201

Structure Descriptors

InChI

1S/C21H25BrN2O3/c1-16(25)20-13-17(22)7-8-21(20)27-15-19(26)14-23-9-11-24(12-10-23)18-5-3-2-4-6-18/h2-8,13,19,26H,9-12,14-15H2,1H3

InChIKey

JTLCDLCQBTWCAT-UHFFFAOYSA-N

Smiles

CC(=O)c1cc(ccc1OCC(CN2CCN(CC2)c3ccccc3)O)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 20, Pg. 480, 1981.