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Substance Name: Piperazine, 1-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)-, monohydrochloride
RN: 97630-12-1
InChIKey: LREFTIFOIBSXDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-F6-N2-O2-S.Cl-H

Molecular Weight

  • 398.7537
 
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Names and Synonyms

Synonym

  • 1-((3,5-Bis(trifluoromethyl)phenyl)sulfonyl)piperazine monohydrochloride

Systematic Name

  • Piperazine, 1-((3,5-bis(trifluoromethyl)phenyl)sulfonyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 97630-12-1

System Generated Number

  • 0097630121

Molecular Formulas

Molecular Formula

  • C12-H12-F6-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C12-H12-F6-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H12F6N2O2S.ClH/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)23(21,22)20-3-1-19-2-4-20;/h5-7,19H,1-4H2;1H

InChIKey

LREFTIFOIBSXDQ-UHFFFAOYSA-N

Smiles

N1(CCNCC1)S(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 700mg/kg (700mg/kg)   United States Patent Document. Vol. #4760062,