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Substance Name: Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride
RN: 85868-50-4
InChIKey: MKHHQTIDGSLBJD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-F3-N3-O.2Cl-H

Molecular Weight

  • 452.345
 
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Names and Synonyms

Synonym

  • 4-(3-(4-(3-(Trifluoromethyl)phenyl)-1-piperazinyl)propoxy)benzenamine dihydrochloride

Systematic Name

  • Benzenamine, 4-(3-(4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)propoxy)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 85868-50-4

System Generated Number

  • 0085868504

Molecular Formulas

Molecular Formula

  • C20-H24-F3-N3-O.2Cl-H

Molecular Formula Fragments

  • C20-H24-F3-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24F3N3O.2ClH/c21-20(22,23)16-3-1-4-18(15-16)26-12-10-25(11-13-26)9-2-14-27-19-7-5-17(24)6-8-19;;/h1,3-8,15H,2,9-14,24H2;2*1H

InChIKey

MKHHQTIDGSLBJD-UHFFFAOYSA-N

Smiles

c1(N2CC[NH+](CCCOc3ccc([NH2+])cc3)CC2)cc(ccc1)C(F)(F)F.[ClH-].[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 21, Pg. 914, 1982.