CAS No.54910-89-3,Fluoxetine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	54910-89-3
Name:	Fluoxetine
Article Data:	65

Formula:	C₁₇H₁₈F₃NO
Molecular Weight:	309.331
Synonyms:	Fluoxetine (TN);Fluoxetine (USAN);(+/-)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine];Prozac;dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine;Pulvules;Fluval;3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine;Benzenepropanamine, N-methyl-gamma-[4-(trifluoromethyl)phenoxy]-, (+/-)-;
EINECS:	611-209-7
Density:	1.159 g/cm³
Melting Point:	158oC
Boiling Point:	395.1 °C at 760 mmHg
Flash Point:	192.8 °C
Solubility:	Insoluble in water
Hazard Symbols:	C,Xi
Risk Codes:	R34; R36/37; R36/37/38
PSA:	21.26000
LogP:	4.82590

Raw Materials

936-59-4

98-56-6

Downstream Products

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Chemistry

Molecular Structure of Fluoxetine (CAS NO.491878-06-9):

IUPAC Name: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Empirical Formula: C₁₇H₁₈F₃NO
Molecular Weight: 309.33
H bond acceptors: 2
H bond donors: 1
Freely Rotating Bonds: 6
Polar Surface Area: 12.47Å²
Index of Refraction: 1.51
Molar Refractivity of Fluoxetine (CAS NO.491878-06-9): 79.89 cm³
Molar Volume: 266.7 cm³
Surface Tension: 32.9 dyne/cm
Density: 1.159 g/cm³
Flash Point: 192.8 °C
Enthalpy of Vaporization: 64.52 kJ/mol
Boiling Point: 395.1 °C at 760 mmHg
Vapour Pressure: 1.88E-06 mmHg at 25°C
pKa/pKb: 3.95 (pKb)
Partition Coefficient: 3.749
Solubility in water: Insoluble
InChI
InChI=1/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
Smiles
c1([C@@H](Oc2ccc(C(F)(F)F)cc2)CCNC)ccccc1
Classification Code of Fluoxetine (CAS NO.491878-06-9): Antidepressant; Antidepressive Agents; Antidepressive agents, second-generation; Central Nervous System Agents; Drug / Therapeutic Agent; Human Data; Neurotransmitter Agents; Neurotransmitter Uptake Inhibitors; Psychotropic Drugs; Reproductive Effect; Serotonin Agents; Serotonin uptake inhibitors

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	17mg/kg (17mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	American Journal of Emergency Medicine. Vol. 16, Pg. 328, 1998.
man	TDLo	oral	17mg/kg (17mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS" BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	American Journal of Emergency Medicine. Vol. 16, Pg. 328, 1998.
mouse	LD50	intraperitoneal	87500ug/kg (87.5mg/kg)		Drugs of the Future. Vol. 15, Pg. 1178, 1990.
mouse	LD50	oral	464mg/kg (464mg/kg)		Drugs of the Future. Vol. 15, Pg. 1178, 1990.
rat	LD50	intraperitoneal	121mg/kg (121mg/kg)		Drugs of the Future. Vol. 15, Pg. 1178, 1990.
rat	LD50	oral	825mg/kg (825mg/kg)		Drugs of the Future. Vol. 15, Pg. 1178, 1990.
women	TDLo	oral	2mg/kg/5D-I (2mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives of Internal Medicine. Vol. 156, Pg. 681, 1996.
women	TDLo	oral	16800ug/kg/6W (16.8mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ANTIPSYCHOTIC	Archives of Internal Medicine. Vol. 156, Pg. 681, 1996.
women	TDLo	oral	60mg/kg/21W-I (60mg/kg)		American Journal of Psychiatry. Vol. 153, Pg. 134, 1996.
women	TDLo	oral	72mg/kg/26W-I (72mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of Clinical Pyschopharmacology. Vol. 10, Pg. 343, 1990.

Specification

Fluoxetine , with CAS number of 491878-06-9, can be called (+) or (-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine ; (+) or (-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine ; (+-)-N-Methyl-3-phenyl-3-((alpha,alpha,alpha-trifluoro-p-tolyl)oxy)propylamine ; (+-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine ; Benzenepropamine, N-methyl-gamma-(4-(trifluoromethyl)phenoxy)-, (+-)- .