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Substance Name: Benzenemethanol, alpha-(1-azabicyclo(2.2.2)oct-3-ylethynyl)-alpha-phenyl-, monohydrochloride
RN: 106824-74-2
InChIKey: NXQLEQRQXUBCJB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N-O.Cl-H

Molecular Weight

  • 353.8906
 
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Names and Synonyms

Synonyms

  • 2-Propen-1-ol, 1,1-diphenyl-3-(3-quinuclidinyl)-, hydrochloride
  • 3-(3',3'-Diphenyl-3'-oxy-1'-propinyl)quinuclidine hydrochloride
  • alpha-(1-Azabicyclo(2.2.2)oct-3-ylethynyl)-alpha-phenylbenzenemethanol monohydrochloride

Systematic Name

  • Benzenemethanol, alpha-(1-azabicyclo(2.2.2)oct-3-ylethynyl)-alpha-phenyl-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 106824-74-2

System Generated Number

  • 0106824742

Molecular Formulas

Molecular Formula

  • C22-H23-N-O.Cl-H

Molecular Formula Fragments

  • C22-H23-N-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H23NO.ClH/c24-22(20-7-3-1-4-8-20,21-9-5-2-6-10-21)14-11-19-17-23-15-12-18(19)13-16-23;/h1-10,18-19,24H,12-13,15-17H2;1H

InChIKey

NXQLEQRQXUBCJB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(C#CC2CN3CCC2CC3)(c4ccccc4)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 759, 1986.