Paroxetine hydrochloride hemihydrate - ≥98%(HPLC) , CAS No.110429-35-1

CAS: 110429-35-1 Cat. No.: P129711 Molecular Weight: 374.83 EC Number: 600-962-7 PubChem CID: 5282487

GRADE & PURITY ≥98%(HPLC)

Synonyms

PAROXETINE HYDROCHLORIDE [VANDF] | UNII-X2ELS050D8 | KS-1094 | Paroxetine Hydrochloride Hemihydrate 1.0 mg/ml in Methanol (as anhydrous free base) | PAROXETINE HCL HEMIHYDRATE | PAROXETINE HYDROCHLORIDE HEMIHYDRATE [MI] | PAROXETINE HYDROCHLORIDE HEMIHYDR

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Paroxetine HCl, a phenylpiperidine derivative, is a highly potent and selective ST (serotonin transporter/5-HT) uptake inhibitor. It acts by binding to ST (serotonin transporter/SERT) with high affinity (Ki = 05 nM). In vitro paroxetine competitively inhibits the uptake of 5-HT by rat hypothalamic and cortical synaptosomes with only very weak inhibitory effects on SLC6A2 (noradrenaline) uptake and DAT (dopamine) uptake. Paroxetine HCl has also displayed a high affinity for muscarinic acetylcholine receptors. Other experiments have shown Paroxetine HCl to inhibit NOS (nitric oxide synthase) and also to be both a substrate and an inhibitor of CYP2D6 (cytochrome isoenzyme P450 2D6).
A highly potent and selective serotonin (5-HT) uptake inhibitor

Specifications

Synonyms

PAROXETINE HYDROCHLORIDE [VANDF] | UNII-X2ELS050D8 | KS-1094 | Paroxetine Hydrochloride Hemihydrate 1.0 mg/ml in Methanol (as anhydrous free base) | PAROXETINE HCL HEMIHYDRATE | PAROXETINE HYDROCHLORIDE HEMIHYDRATE [MI] | PAROXETINE HYDROCHLORIDE HEMIHYDR

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Paroxetine hydrochloride hemihydrate is one of the most potent and selective of the selective serotonin reuptake inhibitors (SSRI); antidepressant.Potent, selective 5-HT (serotonin) uptake inhibitor. Inhibits human and rat 5-HT transporters (K i values ar

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Product Properties

• ALogP: 3.5

Names and Identifiers

• Pubchem Sid: 504763438
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763438
• Canonical Smiles: C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O.Cl.Cl
• IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;hydrate;dihydrochloride
• InChIKey: MQZOATSIFWSKKT-OASXIEIISA-N
• 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
• Isomeric SMILES: C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.O.Cl.Cl
• WGK Germany: 3
• RTECS: TM4569320
• Alternate CAS: 78246-49-8
• PubChem CID: 5282487
• Molecular Weight: 374.83
• Reaxy-Rn: 7471375

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Benzodioxoles Fluorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Oxacyclic compounds Dialkylamines Azacyclic compounds Acetals Organopnictogen compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenylpiperidine - Benzodioxole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Acetal - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrochloride - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CYP2D6 Tclin Cytochrome P450 2D6 (0 Activities)

Discover Target: CYP2D6

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A2 Tclin Sodium-dependent noradrenaline transporter (0 Activities)

Discover Target: SLC6A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A3 Tclin Sodium-dependent dopamine transporter (0 Activities)

Discover Target: SLC6A3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

SLC6A4 Tclin Sodium-dependent serotonin transporter (0 Activities)

Discover Target: SLC6A4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MPO Tchem Myeloperoxidase (0 Activities)

Discover Target: MPO

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (0 Activities)

Discover Target: CHRM5

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM3 Tclin Muscarinic acetylcholine receptor M3 (0 Activities)

Discover Target: CHRM3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (0 Activities)

Discover Target: CHRM4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (0 Activities)

Discover Target: CHRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (0 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

P2RX4 Tchem P2X purinoceptor 4 (0 Activities)

Discover Target: P2RX4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Soluble in DMSO (25 mg/ml), chloroform, and methanol. Insoluble in water
• Specific Rotation[α]: -90°C
• Melt Point(°C): 137-139°C
• Molecular Weight: 749.700 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 748.249 Da
• Monoisotopic Mass: 748.249 Da
• Topological Polar Surface Area: 80.400 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 402.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 5

XLogP3

References

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2. Aoqi Song, Zhenghua Wu, Wenjuan Zhao, Wenqing Shi, Ru Cheng, Jingjing Jiang, Zhuojun Ni, Han Qu, Xijier Qiaolongbatu, Guorong Fan, Yuefen Lou.  (2022)  The Role and Mechanism of Hyperoside against Depression-like Behavior in Mice via the NLRP1 Inflammasome.  Medicina-Lithuania,  58  (12): (1749).  [PMID:36556951] [10.3390/medicina58121749]

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6. Baoying Wang, Lei Tian, Mengdi Wu, Duo Zhang, Xiangli Yan, Ming Bai, Yucheng Li, Pan Su, Erping Xu.  (2024)  Modified Danzhi XiaoyaoSan inhibits neuroinflammation via regulating TRIM31/NLRP3 inflammasome in the treatment of CUMS depression.  EXPERIMENTAL GERONTOLOGY,      [PMID:38729250] [10.1016/j.exger.2024.112451]

7. Su Pan, Li Zibo, Yan Xiangli, Wang Baoying, Bai Ming, Li Yucheng, Xu Erping.  (2024)  Quercetin and Kaempferol inhibit HMC-1 activation via SOCE/NFATc2 signaling and suppress hippocampal mast cell activation in lipopolysaccharide-induced depressive mice.  INFLAMMATION RESEARCH,      [PMID:38587532] [10.1007/s00011-024-01876-7]

8. Ru Cheng, Aoqi Song, Jingjing Jiang, Xijier Qiaolongbatu, Zhenghua Wu, Feng Qian, Shuyu Shen, Liwen Zhang, Zhiyu Wang, Wenjuan Zhao, Yuefen Lou.  (2025)  Berberine Alleviates Chronic Restraint Stress-Induced Depression-Like Behavior by Modulating Gut Microbiota and SCFA Production in Mice.  BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY,      [PMID:40891178] [10.1002/bab.70043]

9. Peng Shuaijun, Su Pan, Liu Liming, Li Zibo, Liu Yuan, Tian Lei, Bai Ming, Xu Erping, Li Yucheng.  (2025)  Formononetin ameliorates depression-like behaviors through rebalancing microglia M1/M2 polarization and inhibiting NLRP3 inflammasome: involvement of activating PPARα-mediated autophagy.  MOLECULAR MEDICINE,  31  (1): (1-20).  [PMID:40275171] [10.1186/s10020-025-01217-2]

10. Xinxin Zheng, Sidi Cun, Jiatai Yin, Xue Zhao, Yunshan Wang, Jing Wang, Qian Li, Xinfeng Zhao.  (2025)  Immobilizing the Endogenous 5-Hydroxytryptamine Transporter by Ligand-Directed and Proximity-Catalyzed Acyl Imidazole Chemistry for Affinity Chromatographic Analysis.  ANALYTICAL CHEMISTRY,      [PMID:40317770] [10.1021/acs.analchem.5c01334]

11. Xue Zhao, Yunshan Wang, Jiatai Yin, Sidi Cun, Yuanyuan Ou, Qian Li, Xinfeng Zhao, Yajun Zhang.  (2025)  Integrating click chemistry into protein expression for efficient preparation of immobilized protein bio-surface with enhanced stability and reproducibility in affinity chromatography.  ANALYTICA CHIMICA ACTA,      [PMID:40409903] [10.1016/j.aca.2025.344142]

12. Zhao Xue, Yu Yi, Yang Lili, Liu Hui, Lei Ting.  (2025)  Screening of selective serotonin reuptake inhibitors from Cyperus rotundus using immobilized neurotransmitter transporter affinity chromatography for antidepressant discovery.  ANALYTICAL AND BIOANALYTICAL CHEMISTRY,      [PMID:41062859] [10.1007/s00216-025-06105-6]

13. Tian Lei, Su Pan, Feng Gang, Peng Shuaijun, Liu Liming, Yan Xiangli, Liu Xianghua, Li Yucheng, Bai Ming, Wang Baoying, Xu Erping.  (2025)  Modified Xiaoyao San ameliorates LPS-induced depression-like behavior by inhibiting NLRP3-mediated microglial pyroptosis.  METABOLIC BRAIN DISEASE,  40  (8): (324).  [PMID:41273446] [10.1007/s11011-025-01751-2]

14. Gao Xiang, Hou Yujiao, Lin Fang, Wen Limei, Guo Yali, Kong Weijun, Hu Junping, Yang Jianhua.  (2026)  A rime-like Au-Pt nanostructured film and polyaniline-MIP based electrochemical sensor for olanzapine detection.  MICROCHIMICA ACTA,  193  (4): (233).  [PMID:] [10.1007/s00604-026-07857-3]