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Substance Name: 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)-
RN: 102071-64-7
InChIKey: BYDOPSYBUGBWER-GRTNUQQKSA-N

Molecular Formula

  • C21-H22-F3-N-O.Cl-H

Molecular Weight

  • 397.8657
 
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Names and Synonyms

Synonym

  • 1-(trans-2-Phenylcyclopropyl)-4-hydroxy-4-(m-trifluoromethylphenyl)piperidine hydrochloride

Systematic Name

  • 4-Piperidinol, 1-(2-phenylcyclopropyl)-4-(alpha,alpha,alpha-trifluoro-m-tolyl)-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 102071-64-7

System Generated Number

  • 0102071647

Molecular Formulas

Molecular Formula

  • C21-H22-F3-N-O.Cl-H

Molecular Formula Fragments

  • C21-H22-F3-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H22F3NO.ClH/c22-21(23,24)17-8-4-7-16(13-17)20(26)9-11-25(12-10-20)19-14-18(19)15-5-2-1-3-6-15;/h1-8,13,18-19,26H,9-12,14H2;1H/t18-,19+;/m0./s1

InChIKey

BYDOPSYBUGBWER-GRTNUQQKSA-N

Smiles

c1ccc(cc1)[C@@H]2C[C@H]2N3CCC(CC3)(c4cccc(c4)C(F)(F)F)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11100,