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Substance Name: Butyrophenone, 4-(4-(o-fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochloride
RN: 23771-07-5
InChIKey: QVGJGUNAABWIEB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-F-N2-O4.Cl-H

Molecular Weight

  • 452.951
 
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Names and Synonyms

Synonym

  • 4-(4-(o-Fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxybutyrophenone hydrochloride

Systematic Name

  • Butyrophenone, 4-(4-(o-fluorophenyl)-1-piperazinyl)-3',4',5'-trimethoxy-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 23771-07-5

System Generated Number

  • 0023771075

Molecular Formulas

Molecular Formula

  • C23-H29-F-N2-O4.Cl-H

Molecular Formula Fragments

  • C23-H29-F-N2-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29FN2O4.ClH/c1-28-21-15-17(16-22(29-2)23(21)30-3)20(27)9-6-10-25-11-13-26(14-12-25)19-8-5-4-7-18(19)24;/h4-5,7-8,15-16H,6,9-14H2,1-3H3;1H

InChIKey

QVGJGUNAABWIEB-UHFFFAOYSA-N

Smiles

C(CCCN1CCN(CC1)c1c(cccc1)F)(=O)c1cc(c(c(c1)OC)OC)OC.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 865, 1969.