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Paroxetine

CAT: 0013-GTR19156831-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156831-02Size:100 mg
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Description
Paroxetine is a inhibitor of serotonin uptake that is effective in the treatment of depression.
CAS Number
61869-08-7
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (303.61 mM)
Smiles
Fc1ccc (cc1) [C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Molecular Formula
C19H20FNO3
Molecular Weight
329.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Paroxetine

Paroxetine is a benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly potent and selective 5-HT uptake inhibitor that binds with high affinity to the serotonin transporter (Ki = 0.05 nM). Ki values are 1.1, 350 and 1100 nM for inhibition of [3H]-5-HT, [3H]-l-NA and [3H]-DA uptake respectively. Displays minimal affinity for alpha1-, alpha2- or beta-adrenoceptors, 5-HT2A, 5-HT1A, D2 or H1 receptors at concentrations below 1000 nM, however displays weak affinity for muscarinic ACh receptors (Ki = 42 nM). Antidepressant and anxiolytic in vivo. It has a role as an antidepressant, an anxiolytic drug, a P450 inhibitor, a hepatotoxic agent and a serotonin uptake inhibitor. It is a member of piperidines, an aromatic ether, a member of benzodioxoles and a member of monofluorobenzenes. It is a conjugate base of a paroxetinium(1+).

CAS Number61869-08-7
PubChem CID43815
IUPAC Name(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
Molecular FormulaC19H20FNO3
Molecular Weight329.4
XLogP3.5
Topological Polar Surface Area39.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity402
SMILES
C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H20FNO3/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/t14-,17-/m0/s1
InChIKey
AHOUBRCZNHFOSL-YOEHRIQHSA-N
Chemical Structure
2D Structure
2D structure of Paroxetine
CAS: 61869-08-7
CID: 43815
Formula: C19H20FNO3
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass329.14272166
Monoisotopic Mass329.14272166
Topological Polar Surface Area39.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity402
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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BA5103-500Paroxetine
C8698-250Paroxetine Mesylate
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256169-01Paroxetine maleate
RM-P182401-01Paroxetine Formate
GP8602-5gParoxetine hydrochloride

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