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Substance Name: 4-Piperidinamine, N-(2-((1,1'-biphenyl)-2-yloxy)ethyl)-1-(phenylmethyl)-, hydrochloride, hydrate (2:4:1)
RN: 125849-30-1
InChIKey: YLTHXUBQFRAJCX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-N2-O.2Cl-H.1/2H2-O

Molecular Weight

  • 459.4578
 
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Names and Synonyms

Synonyms

  • N-(1-Benzyl-4-piperidyl)-2-(2-biphenylyloxy)ethylamine dihydrochloride hemihydrate
  • N-(2-((1,1'-Biphenyl)-2-yloxy)ethyl)-1-(phenylmethyl)-4-piperidinamine hydrochloride

Systematic Name

  • 4-Piperidinamine, N-(2-((1,1'-biphenyl)-2-yloxy)ethyl)-1-(phenylmethyl)-, hydrochloride, hydrate (2:4:1)

Registry Numbers

CAS Registry Number

  • 125849-30-1

System Generated Number

  • 0125849301

Molecular Formulas

Molecular Formula

  • C26-H30-N2-O.2Cl-H.1/2H2-O

Molecular Formula Fragments

  • C26-H30-N2-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H30N2O.2ClH/c1-3-9-22(10-4-1)21-28-18-15-24(16-19-28)27-17-20-29-26-14-8-7-13-25(26)23-11-5-2-6-12-23;;/h1-14,24,27H,15-21H2;2*1H

InChIKey

YLTHXUBQFRAJCX-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCC(CC2)NCCOc3ccccc3c4ccccc4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 726mg/kg (726mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 1966, 1989.