CAS No.78246-49-8,Paroxetine hydrochloride Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	78246-49-8
Name:	Paroxetine hydrochloride

Formula:	C₁₉H₂₀FNO₃
Molecular Weight:	365.83
Synonyms:	Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride,(3S,4R)- (9CI);(-)-trans-4-(4-Fluorophenyl)-3-(3,4-methylenedioxyphenoxymethyl)piperidinehydrochloride;Aropax 20;BRL 29060 hydrochloride;BRL 29060A;Deroxat;Paroxet;Paxil;Seroxat;Tagonis;Paroxetine Hcl;
EINECS:	616-601-1
Density:	1.213 g/cm³
Melting Point:	129-131 °C
Boiling Point:	451.7 °C at 760 mmHg
Flash Point:	227 °C
Appearance:	white crystalline powder
PSA:	39.72000
LogP:	4.45730

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Specification

1. Introduction of Paroxetine hydrochloride
Paroxetine hydrochloride , with CAS number of 78246-49-8, can be called Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride,(3S,4R)- (9CI) ; Piperidine,3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)-, hydrochloride,(3S-trans)- ; Seroxat ; Tagonis . It is a white crystalline powder, used as a selective serotonin reuptake inhibitor and an antidepressant. The IUPAC Name of Paroxetine hydrochloride is (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine hydrochloride.

2. Properties of Paroxetine hydrochloride
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 30.93Å²
Index of Refraction: 1.561
Molar Refractivity: 87.94 cm³
Molar Volume: 271.5 cm³
Surface Tension: 45.5 dyne/cm
Density: 1.213 g/cm³
Flash Point: 227 °C
Enthalpy of Vaporization: 71.08 kJ/mol
Boiling Point: 451.7 °C at 760 mmHg
Vapour Pressure: 2.39E-08 mmHg at 25°C
Melting point: 129-131°C

3. Structure Descriptors of Paroxetine hydrochloride
InChI
InChI=1/C19H20FNO3.ClH/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;/h1-6,9,14,17,21H,7-8,10-12H2;1H/t14-,17-;/m0./s1
Smiles
c1([C@H]2[C@H](COc3cc4c(OCO4)cc3)CNCC2)ccc(F)cc1.Cl
Product Categories: Inhibitors; Intermediates & Fine Chemicals; Pharmaceuticals; API's; Serotonin receptor

4. Toxicity of Paroxetine hydrochloride

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	625ug/kg (0.625mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: HEADACHE GASTROINTESTINAL: NAUSEA OR VOMITING	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 28(Suppl,
man	TDLo	oral	3654ug/kg/14D (3.654mg/kg)	BEHAVIORAL: WAKEFULNESS BEHAVIORAL: SLEEP BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Yakuri to Chiryo. Pharmacology and Therapeutics. Vol. 28(Suppl,
mouse	LD50	intravenous	42mg/kg (42mg/kg)		Acta Psychiatrica Scandinavica, Supplementum. Vol. 350, Pg. 31, 1989.
mouse	LD50	oral	378mg/kg (378mg/kg)		Acta Psychiatrica Scandinavica, Supplementum. Vol. 350, Pg. 31, 1989.
rat	LD50	intravenous	30mg/kg (30mg/kg)		Acta Psychiatrica Scandinavica, Supplementum. Vol. 350, Pg. 31, 1989.
rat	LD50	oral	415mg/kg (415mg/kg)		Acta Psychiatrica Scandinavica, Supplementum. Vol. 350, Pg. 31, 1989.
women	TDLo	oral	7400ug/kg/3W- (7.4mg/kg)	BEHAVIORAL: WAKEFULNESS BEHAVIORAL: TOXIC PSYCHOSIS BEHAVIORAL: AGGRESSION	Journal of the American Academy of Child and Adolescent Psychiatry. Vol. 36, Pg. 721, 1997.

5. Safety Information of Paroxetine hydrochloride
RIDADR: 3249
HazardClass: 6.1(b)
PackingGroup: III

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