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Substance Name: Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-, dihydrochloride
RN: 124444-72-0
InChIKey: NLLUBRBPXHFRLT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H16-F3-N3-O.2Cl-H

Molecular Weight

  • 408.2492
 
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Names and Synonyms

Synonyms

  • 1-(3-Pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)piperazine dihydrochloride
  • 1-Nicotinoyl-4-(3-trifluoromethylphenyl)piperazine dihydrochloride
  • B-1 370

Systematic Name

  • Piperazine, 1-(3-pyridinylcarbonyl)-4-(3-(trifluoromethyl)phenyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 124444-72-0

System Generated Number

  • 0124444720

Molecular Formulas

Molecular Formula

  • C17-H16-F3-N3-O.2Cl-H

Molecular Formula Fragments

  • C17-H16-F3-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H16F3N3O.2ClH/c18-17(19,20)14-4-1-5-15(11-14)22-7-9-23(10-8-22)16(24)13-3-2-6-21-12-13;;/h1-6,11-12H,7-10H2;2*1H

InChIKey

NLLUBRBPXHFRLT-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)N2CCN(CC2)C(=O)c3cccnc3)C(F)(F)F.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 575mg/kg (575mg/kg)   United States Patent Document. Vol. #4880807,