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Substance Name: Benzoic acid, 3,4,5-trimethoxy-, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester, monohydrochloride
RN: 95217-24-6
InChIKey: PTAVEQCWSVWZPI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H33-F-N2-O6.Cl-H

Molecular Weight

  • 573.0576
 
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Names and Synonyms

Synonyms

  • 1-(4-Fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl 3,4,5-trimethoxybenzoate
  • 3,4,5-Trimethoxybenzoic acid 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester HCl

Systematic Name

  • Benzoic acid, 3,4,5-trimethoxy-, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 95217-24-6

System Generated Number

  • 0095217246

Molecular Formulas

Molecular Formula

  • C30-H33-F-N2-O6.Cl-H

Molecular Formula Fragments

  • C30-H33-F-N2-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C30H33FN2O6.ClH/c1-36-26-19-22(20-27(37-2)29(26)38-3)30(35)39-25(28(34)21-9-11-23(31)12-10-21)13-14-32-15-17-33(18-16-32)24-7-5-4-6-8-24;/h4-12,19-20,25H,13-18H2,1-3H3;1H

InChIKey

PTAVEQCWSVWZPI-UHFFFAOYSA-N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 815, 1985.