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Substance Name: Piperazine, 1-(4-chloro-3-(trifluoromethyl)phenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride
RN: 80305-30-2
InChIKey: LUIPVTMUUVKHKV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl-F3-N2-O3.Cl-H

Molecular Weight

  • 481.3395
 
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Names and Synonyms

Synonym

  • N-(3,4,5-Trimethoxybenzyl)-N'-(3-trifluoromethyl-4-chlorophenyl)piperazine hydrochloride

Systematic Name

  • Piperazine, 1-(4-chloro-3-(trifluoromethyl)phenyl)-4-((3,4,5-trimethoxyphenyl)methyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 80305-30-2

System Generated Number

  • 0080305302

Molecular Formulas

Molecular Formula

  • C21-H24-Cl-F3-N2-O3.Cl-H

Molecular Formula Fragments

  • C21-H24-Cl-F3-N2-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24ClF3N2O3.ClH/c1-28-18-10-14(11-19(29-2)20(18)30-3)13-26-6-8-27(9-7-26)15-4-5-17(22)16(12-15)21(23,24)25;/h4-5,10-12H,6-9,13H2,1-3H3;1H

InChIKey

LUIPVTMUUVKHKV-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1OC)OC)CN2CCN(CC2)c3ccc(c(c3)C(F)(F)F)Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 283mg/kg (283mg/kg)   United States Patent Document. Vol. #4370330,