- Paroxetine
- Paroxetine hydrochloride
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| Name |
Paroxetine hydrochloride |
EINECS | 616-601-1 |
| CAS No. | 78246-49-8 | Density | 1.213 g/cm3 |
| PSA | 39.72000 | LogP | 4.45730 |
| Solubility | N/A | Melting Point |
129-131 °C |
| Formula | C19H20FNO3 | Boiling Point | 451.7 °C at 760 mmHg |
| Molecular Weight | 365.83 | Flash Point | 227 °C |
| Transport Information | N/A | Appearance | white crystalline powder |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| 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; |
Paroxetine hydrochloride 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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