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Substance Name: Butyrophenone, 4-(4-(beta-butoxyphenethyl)-1-piperazinyl)-4'-fluoro-, dihydrochloride
RN: 21263-02-5
InChIKey: QASPFOBCIIDDQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H35-F-N2-O2.2Cl-H

Molecular Weight

  • 499.494
 
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Names and Synonyms

Synonym

  • 4-(4-(beta-Butoxyphenethyl)-1-piperazinyl)-4'-fluorobutyrophenone dihydrochloride

Systematic Name

  • Butyrophenone, 4-(4-(beta-butoxyphenethyl)-1-piperazinyl)-4'-fluoro-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 21263-02-5

System Generated Number

  • 0021263025

Molecular Formulas

Molecular Formula

  • C26-H35-F-N2-O2.2Cl-H

Molecular Formula Fragments

  • C26-H35-F-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H35FN2O2.2ClH/c1-3-21(2)31-26(20-22-8-5-4-6-9-22)29-18-16-28(17-19-29)15-7-10-25(30)23-11-13-24(27)14-12-23;;/h4-6,8-9,11-14,21,26H,3,7,10,15-20H2,1-2H3;2*1H

InChIKey

QASPFOBCIIDDQN-UHFFFAOYSA-N

Smiles

C(=O)(c1ccc(cc1)F)CCCN1CCN(CC1)[C@@H](Cc1ccccc1)O[C@@H](C)CC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   United States Patent Document. Vol. #3448192,