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Substance Name: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(p-fluorophenylthio)propyl)-3-phenyl-, hydrochloride
RN: 102585-84-2
InChIKey: ZCTRYSJRFNJTEG-UHFFFAOYSA-N

Molecular Formula

  • C23-H28-F-N-O-S.Cl-H

Molecular Weight

  • 422.005
 
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Names and Synonyms

Synonyms

  • 9-(3-(p-Fluorophenylthio)propyl)-3-phenyl-9-azabicyclo(3.3.1)nonan-3-ol hydrochloride
  • 9-(3-p-Fluorothiophenylpropyl)-3-phenyl-3-granatanol hydrochloride

Systematic Name

  • 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(p-fluorophenylthio)propyl)-3-phenyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 102585-84-2

System Generated Number

  • 0102585842

Molecular Formulas

Molecular Formula

  • C23-H28-F-N-O-S.Cl-H

Molecular Formula Fragments

  • C23-H28-F-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28FNOS.ClH/c24-18-10-12-23(13-11-18)27-15-5-14-25-19-6-4-7-20(25)17-22(16-19)26-21-8-2-1-3-9-21;/h1-3,8-13,19-20,22H,4-7,14-17H2;1H

InChIKey

ZCTRYSJRFNJTEG-UHFFFAOYSA-N

Smiles

[NH+]1([C@@H]2CC(Oc3ccccc3)C[C@@H]1CCC2)CCCSc1ccc(F)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11489,