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102585-84-2

102585-84-2 structure

102585-84-2 structure

Name: 9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane,chloride
Chemical Name: 9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane,chloride
CAS Number: 102585-84-2
Molecular Formula: C₂₃H₂₉ClFNOS
Molecular Weight: 421.99900
Create Date: 2016-12-02 15:21:39
Modify Date: 2025-09-20 11:20:29

Name	9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane,chloride
Synonyms	9-(3-p-Fluorothiophenylpropyl)-3-phenyl-3-granatanol hydrochloride 9-(3-(p-Fluorophenylthio)propyl)-3-phenyl-9-azabicyclo(3.3.1)nonan-3-ol hydrochloride 9-Azabicyclo(3.3.1)nonan-3-ol,9-(3-(p-fluorophenylthio)propyl)-3-phenyl-,hydrochloride 9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane chloride

Boiling Point	506.4ºC at 760mmHg
Molecular Formula	C₂₃H₂₉ClFNOS
Molecular Weight	421.99900
Flash Point	260ºC
Exact Mass	421.16400
PSA	37.77000
LogP	6.51230
Vapour Pressure	2.24E-10mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CL5582600

CHEMICAL NAME :: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(p-fluorophenylthio)propyl)-3-phenyl-, hydrochloride

CAS REGISTRY NUMBER :: 102585-84-2

LAST UPDATED :: 199012

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C23-H28-F-N-O-S.Cl-H

MOLECULAR WEIGHT :: 422.04

WISWESSER LINE NOTATION :: T66 A ANTJ A3SR DF& DQ DR &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#11489

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