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Substance Name: 1-Butanone, 1-(4-fluorophenyl)-4-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-, hydrobromide, (+-)-
RN: 61098-64-4
InChIKey: VSKVPWGSFBLDQB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H26-F-N-O.Br-H

Molecular Weight

  • 432.3743
 
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Names and Synonyms

Synonym

  • (+-)-1-(4-Fluorophenyl)-4-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-1-butanone hydrobromide

Systematic Name

  • 1-Butanone, 1-(4-fluorophenyl)-4-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-, hydrobromide, (+-)-

Registry Numbers

CAS Registry Number

  • 61098-64-4

System Generated Number

  • 0061098644

Molecular Formulas

Molecular Formula

  • C23-H26-F-N-O.Br-H

Molecular Formula Fragments

  • Br-H
  • C23-H26-F-N-O
  • COMPONENT

Structure Descriptors

InChI

1S/C23H26FNO.BrH/c24-20-12-10-18(11-13-20)22(26)9-5-15-25-17-23(14-4-8-21(25)16-23)19-6-2-1-3-7-19;/h1-3,6-7,10-13,21H,4-5,8-9,14-17H2;1H

InChIKey

VSKVPWGSFBLDQB-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C23CCCC(C2)N(C3)CCCC(=O)c4ccc(cc4)F.Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous > 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 221, 1977.