1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one,hydrochloride

Modify Date: 2024-04-03 12:30:07

1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one,hydrochloride Structure
1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one,hydrochloride structure
Common Name 1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one,hydrochloride
CAS Number 21492-45-5 Molecular Weight 393.88000
Density N/A Boiling Point 492.1ºC at 760 mmHg
Molecular Formula C21H25ClFNO3 Melting Point N/A
MSDS N/A Flash Point 251.4ºC

 Names

Name 1-(4-fluorophenyl)-4-[3-(2-methoxyphenoxy)pyrrolidin-1-yl]butan-1-one,hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 492.1ºC at 760 mmHg
Molecular Formula C21H25ClFNO3
Molecular Weight 393.88000
Flash Point 251.4ºC
Exact Mass 393.15100
PSA 38.77000
LogP 4.69040
Vapour Pressure 7.94E-10mmHg at 25°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EU3600000
CHEMICAL NAME :
Butyrophenone, 4'-fluoro-4-(3-(2-methoxyphenoxy)-1-pyrrolidinyl)-, hydrochloride
CAS REGISTRY NUMBER :
21492-45-5
LAST UPDATED :
199012
DATA ITEMS CITED :
5
MOLECULAR FORMULA :
C21-H24-F-N-O3.Cl-H
MOLECULAR WEIGHT :
393.92
WISWESSER LINE NOTATION :
T5NTJ A3VR DF& COR BO1 &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
241 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,183,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
84 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,183,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,183,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
179 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,183,1972
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
353 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
27ZQAG "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972 Volume(issue)/page/year: -,183,1972

 Synonyms

ahr-1900
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