Paroxetine mesylate - ≥98% , Serotonin transporter inhibitor, CAS No.217797-14-3, Serotonin transporter inhibitor

CAS: 217797-14-3 Cat. No.: P413251 Fórmula: C₁₉H₂₀FNO₃.CH₄O₃S Peso molecular: 425.47 Número CE: 688-144-6 PubChem CID: 9845306

GRADE & PURITY ≥98%

Synonyms

Carboxiamidotriazol | PAROXETINE MESILATE [WHO-DD] | (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine methanesulfonate | 5,6beta-epoxy-cholesterol | M711N184JE | Paroxetine mesylate (USAN) | CHEBI:32181 | CCG-268946 | PIPERIDIN

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

Paroxetine mesylate Paroxetine Mesylate is the mesylate salt form of paroxetine, a phenylpiperidine derivative and a selective serotonin reuptake inhibitor (SSRI) with antidepressant and anxiolytic properties.

Specifications

Sinónimos

Carboxiamidotriazol | PAROXETINE MESILATE [WHO-DD] | (3S,4R)-3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine methanesulfonate | 5,6beta-epoxy-cholesterol | M711N184JE | Paroxetine mesylate (USAN) | CHEBI:32181 | CCG-268946 | PIPERIDIN

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Paroxetine Mesylate is the mesylate salt form of paroxetine, a phenylpiperidine derivative and a selective serotonin reuptake inhibitor (SSRI) with antidepressant and anxiolytic properties.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Mecanismo de ação

Serotonin transporter inhibitor

Pureza

≥98%

Propriedades do produto

• ALogP: 2.815
• Contagem HBD: 1
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 488196357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196357
• Sorrisos canónicos: CS(=O)(=O)O.C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
• IUPAC Name: (3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine;methanesulfonic acid
• InChIKey: SHIJTGJXUHTGGZ-RVXRQPKJSA-N
• INCHI: 1S/C19H20FNO3.CH4O3S/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;1-5(2,3)4/h1-6,9,14,17,21H,7-8,10-12H2;1H3,(H,2,3,4)/t14-,17-;/m0./s1
• SMILES isoméricas: CS(=O)(=O)O.C1CNC[C@H]([C@@H]1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4
• PubChem CID: 9845306
• Peso molecular: 425.47

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Benzodioxoles Alkyl aryl ethers Aralkylamines Fluorobenzenes Aryl fluorides Methanesulfonates Organosulfonic acids Sulfonyls Alkanesulfonic acids Dialkylamines Azacyclic compounds Acetals Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organofluorides
• Molecular Framework: Not available
• Substituents: Phenylpiperidine - Benzodioxole - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Acetal - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 85 mg/mL (199.77 mM); Water: 10 mg/mL (23.5 mM)
• DMSO (mg/mL) Solubilidade máxima: 85
• DMSO (mM) Solubilidade máxima: 199.778568630987
• Água (mg/mL) Solubilidade máxima: -1
• Água (mM) Solubilidade máxima: -2.35033610154102
• Peso molecular: 425.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 425.131 Da
• Monoisotopic Mass: 425.131 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 495.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 2

XLogP3