Paroxetine hydrochloride, 5-HT uptake inhibitor

Key facts

CAS number

78246-49-8

Purity

>99%

Form

Solid

form

Molecular weight

365.8 Da

Molecular formula

C₁₉H₂₁ClFNO₃

PubChem

62878

Nature

Synthetic

Solubility

Soluble in DMSO to 100 mM and in ethanol to 100 mM

Biochemical name

Paroxetine hydrochloride

Biological description

Potent, selective 5-HT (serotonin) uptake inhibitor. Inhibits human and rat 5-HT transporters (K_i values are 0.065 and 0.05 nM, respectively). Antidepressant and anxiolytic in vivo.

Canonical smiles

C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl

Isomeric smiles

C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl

InChi

InChI=1S/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

InChiKey

GELRVIPPMNMYGS-RVXRQPKJSA-N

IUPAC Name

(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrochloride