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Substance Name: 1,2-Propanediol, 3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydriodide
RN: 67931-83-3
InChIKey: MHTCEGGSFSYSBH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H19-F3-N2-O2.H-I

Molecular Weight

  • 432.218
 
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Names and Synonyms

Synonyms

  • 3-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)-1,2-propanediol monohydriodide
  • 3-(4-(m-Trifluoromethylphenyl)piperazino)propane-1,2-diol hydroiodide
  • LJ 1142

Systematic Name

  • 1,2-Propanediol, 3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)-, monohydriodide

Registry Numbers

CAS Registry Number

  • 67931-83-3

System Generated Number

  • 0067931833

Molecular Formulas

Molecular Formula

  • C14-H19-F3-N2-O2.H-I

Molecular Formula Fragments

  • C14-H19-F3-N2-O2
  • COMPONENT
  • H-I

Structure Descriptors

InChI

1S/C14H19F3N2O2.HI/c15-14(16,17)11-2-1-3-12(8-11)19-6-4-18(5-7-19)9-13(21)10-20;/h1-3,8,13,20-21H,4-7,9-10H2;1H

InChIKey

MHTCEGGSFSYSBH-UHFFFAOYSA-N

Smiles

c1cc(cc(c1)N2CCN(CC2)CC(CO)O)C(F)(F)F.I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 252mg/kg (252mg/kg)   United States Patent Document. Vol. #4203986,
mouse LD50 oral 1125mg/kg (1125mg/kg)   United States Patent Document. Vol. #4203986,