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Substance Name: WR 122455
RN: 35318-40-2
UNII: V02QBL7JKT
InChIKey: HKAMJBJQZVUJFZ-FDOHDBATSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H19-F6-N-O.Cl-H

Molecular Weight

  • 463.847
 
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Names and Synonyms

Name of Substance

  • WR 122455

Synonyms

  • 3,6-Bis(trifluoromethyl)-alpha-(2-piperidyl)-9-phenanthrenemethanol hydrochloride
  • UNII-V02QBL7JKT
  • WR 122455

Systematic Names

  • 2-Piperidinemethanol, alpha-(3,6-bis(trifluoromethyl)-9-phenanthrenyl)-, hydrochloride
  • 3,6-Bis(trifluoromethyl)-alpha-(2-piperidyl)-9-phenanthrenemethanol

Registry Numbers

CAS Registry Number

  • 35318-40-2

FDA UNII

  • V02QBL7JKT

System Generated Number

  • 0035318402

Molecular Formulas

Molecular Formula

  • C22-H19-F6-N-O.Cl-H

Molecular Formula Fragments

  • C22-H19-F6-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H19F6NO.ClH/c23-21(24,25)13-5-4-12-9-18(20(30)19-3-1-2-8-29-19)15-7-6-14(22(26,27)28)11-17(15)16(12)10-13;/h4-7,9-11,19-20,29-30H,1-3,8H2;1H/t19-,20+;/m1./s1

InChIKey

HKAMJBJQZVUJFZ-FDOHDBATSA-N

Smiles

Cl.O[C@H]([C@H]1CCCCN1)c2cc3ccc(cc3c4cc(ccc24)C(F)(F)F)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal 192mg/kg (192mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.
rat LD50 oral 780mg/kg (780mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING Acta Tropica. Vol. 37, Pg. 232, 1980.