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Substance Name: Butyrophenone, 4'-fluoro-4-(4-(beta-methoxyphenethyl)-1-piperazinyl)-, dihydrochloride
RN: 21230-78-4
InChIKey: PWIFPSBDKOJFHU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-F-N2-O2.2Cl-H

Molecular Weight

  • 457.414
 
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Names and Synonyms

Synonym

  • 4'-Fluoro-4-(4-(beta-methoxyphenethyl)-1-piperazinyl)butyrophenone dihydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 21230-78-4

System Generated Number

  • 0021230784

Molecular Formulas

Molecular Formula

  • C23-H29-F-N2-O2.2Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C23H29FN2O2.2ClH/c1-28-23(20-6-3-2-4-7-20)18-26-16-14-25(15-17-26)13-5-8-22(27)19-9-11-21(24)12-10-19;;/h2-4,6-7,9-12,23H,5,8,13-18H2,1H3;2*1H

InChIKey

PWIFPSBDKOJFHU-UHFFFAOYSA-N

Smiles

C(=O)(c1ccc(cc1)F)CCCN1CCN(CC1)C[C@@H](c1ccccc1)OC.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 281mg/kg (281mg/kg)   United States Patent Document. Vol. #3448192,