Paroxetine hydrochloride hemihydrateProduct ingredient for Paroxetine
- Name
- Paroxetine hydrochloride hemihydrate
- Drug Entry
- Paroxetine
Paroxetine is a selective serotonin reuptake inhibitor (SSRI) drug commonly known as Paxil. It has a variety of uses, including the treatment of anxiety disorders, major depression, posttraumatic stress disorder, and symptoms of menopause, among others.26 It was approved by the FDA in the early 1990s and marketed by SmithKline Beecham.32,33 A unique feature of this drug is that it is highly potent and selective in its inhibition of serotonin reuptake and has little effect on other neurotransmitters.13 Because of its potent inhibition of serotonin reuptake, paroxetine is more likely to cause withdrawal effects upon cessation. Paroxetine is well tolerated in most patients with a similar adverse effect profile to other members of its drug class.13 The controlled release formulation was designed to decrease the likelihood of nausea that is sometimes associated with paroxetine.28,36
- Accession Number
- DBSALT001742
- Structure
- Synonyms
- Paroxetine hydrochloride, hemihydrate
- UNII
- X2ELS050D8
- CAS Number
- 110429-35-1
- Weight
- Average: 749.67
Monoisotopic: 748.2493635 - Chemical Formula
- C38H44Cl2F2N2O7
- InChI Key
- MQZOATSIFWSKKT-OASXIEIISA-N
- InChI
- InChI=1S/2C19H20FNO3.2ClH.H2O/c2*20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18;;;/h2*1-6,9,14,17,21H,7-8,10-12H2;2*1H;1H2/t2*14-,17-;;;/m00.../s1
- IUPAC Name
- bis((3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine) hydrate dihydrochloride
- SMILES
- O.Cl.Cl.FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC=C2OCOC2=C1.FC1=CC=C(C=C1)[C@@H]1CCNC[C@H]1COC1=CC=C2OCOC2=C1
- External Links
- ChemSpider
- 4445630
- Predicted Properties
Property Value Source Water Solubility 0.00853 mg/mL ALOGPS logP 3.1 ALOGPS logP 3.15 Chemaxon logS -4.6 ALOGPS pKa (Strongest Basic) 9.77 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 39.72 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 88.02 m3·mol-1 Chemaxon Polarizability 34.34 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule Yes Chemaxon