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Substance Name: 1-Butanone, 2-((dimethylcarbamoyl)oxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride
RN: 51037-67-3
InChIKey: HWRSSPONGIPXSW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-F-N3-O3.2Cl-H

Molecular Weight

  • 486.412
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorophenyl)-2-((dimethylcarbamoyl)oxy)-4-(4-phenyl-1-piperazinyl)-1-butanone 2HCl
  • Butyrophenone, 4'-fluoro-2-hydroxy-4-(4-phenyl-1-piperazinyl)-, dimethylcarbamate
  • Carbamic acid, dimethyl-, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester 2HCl

Systematic Name

  • 1-Butanone, 2-((dimethylcarbamoyl)oxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 51037-67-3

System Generated Number

  • 0051037673

Molecular Formulas

Molecular Formula

  • C23-H28-F-N3-O3.2Cl-H

Molecular Formula Fragments

  • C23-H28-F-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28FN3O3.2ClH/c1-25(2)23(29)30-21(22(28)18-8-10-19(24)11-9-18)12-13-26-14-16-27(17-15-26)20-6-4-3-5-7-20;;/h3-11,21H,12-17H2,1-2H3;2*1H

InChIKey

HWRSSPONGIPXSW-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)CC[C@@H](OC(N(C)C)=O)C(c1ccc(cc1)F)=O)c1ccccc1.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 815, 1985.