帕罗西汀盐酸盐半水合物

Description

Paroxetine HCl Hemihydrate · CAS 110429-35-1 · C19H20FNO3. UNII 41VRH5220H. Boiling Point: 451.7±45.0; Melting Point: 120-138; Melting Point: 129 - 131 °C.

Identification

CAS Registry Number	110429-35-1
PubChem CID	43815
Molecular formula	C19H20FNO3
IUPAC name	(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
UNII (FDA)	41VRH5220H

Computed Descriptors

Molecular Weight	329.4
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	329.14272166
Monoisotopic Mass	329.14272166
Topological Polar Surface Area	39.7
Heavy Atom Count	24
Formal Charge	0

Physical & Chemical Properties

Boiling Point	451.7±45.0
Melting Point	120-138
Melting Point	129 - 131 °C
Solubility	5.4
Solubility	In water, 1,131 mg/L at 25 °C
Solubility	8.53e-03 g/L
LogP	2.53
LogP	log Kow = 1.23
LogP	3.6
LogP	4.07

Physical description & handling notes

• Solid
• Odorless off-white powder; molecular weight: 374.84; melting point: 120-138 °C /Hydrochloride hemihydrate/
• Odorless, off-white powder, mp 147-150 °C . Solubility in water: >1 g/mL/Paroxetine methanesulfonate/
• pKa1 = 9.6 /secondary amine/
• 183.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Antidepressants]
• 183.2 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

Regulatory Status

GHS notification summary	16.7% (1 / 6)

GHS Hazard Classification

GHS notification summary	16.7% (1 / 6)
Reported hazard statements	H302 (66.7%), H360 (50%), H361 (16.7%), H400 (16.7%), H410 (50%), H315, H319, H335

Documented Uses

• THERAPEUTIC CATEGORY (VETERINARY): In treatment of canine and feline behavioral disorders
• Antidepressive Agents, Second-Generation; Serotonin Uptake Inhibitors
• Use (kg; approx.) in Germany (2009): >1000
• Use (kg) in France (2004): 5515
• Consumption (g per capita; approx.) in Germany (2009): 0.0122
• Consumption (g per capita) in the USA (2002): 0.0645

Synonyms

paroxetine; 61869-08-7; Frosinor; Motivan; Casbol; PaxPar; Paroxetina; Paroxetinum; (-)-Paroxetine; Aropax; Besitram; BRL 29060; BRL-29060; Arketis; Daparox; Parogen

Frequently Asked Questions

What are the CAS number and molecular formula of Paroxetine HCl Hemihydrate?

CAS 110429-35-1; molecular formula C19H20FNO3; molecular weight — g/mol.

What other names is Paroxetine HCl Hemihydrate known by?

paroxetine, 61869-08-7, Frosinor, Motivan, Casbol, PaxPar.

Is Paroxetine HCl Hemihydrate classified as hazardous?

16.7% of GHS notifications report no hazard classification (1 of 6).

What are the key physical properties of Paroxetine HCl Hemihydrate?

Boiling Point: 451.7±45.0; Melting Point: 120-138; Melting Point: 129 - 131 °C; Solubility: 5.4.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.