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Substance Name: 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride
RN: 55432-85-4
InChIKey: AQBQEQFLFGYFDJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-F3-N2-O2-S.Cl-H

Molecular Weight

  • 384.848
 
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Names and Synonyms

Synonym

  • 4-(3-((Trifluoromethyl)thio)phenyl)-1-piperazineethanol acetate (ester) monohydrochloride

Systematic Name

  • 1-Piperazineethanol, 4-(3-((trifluoromethyl)thio)phenyl)-, acetate (ester), monohydrochloride

Registry Numbers

CAS Registry Number

  • 55432-85-4

System Generated Number

  • 0055432854

Molecular Formulas

Molecular Formula

  • C15-H19-F3-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C15-H19-F3-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H19F3N2O2S.ClH/c1-12(21)22-10-9-19-5-7-20(8-6-19)13-3-2-4-14(11-13)23-15(16,17)18;/h2-4,11H,5-10H2,1H3;1H

InChIKey

AQBQEQFLFGYFDJ-UHFFFAOYSA-N

Smiles

CC(=O)OCCN1CCN(CC1)c2cccc(c2)SC(F)(F)F.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 510mg/kg (510mg/kg)   United States Patent Document. Vol. #4202898,