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 EC: 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

Descripción general

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

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y 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.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Serotonin transporter inhibitor

Pureza

≥98%

Propiedades del producto

ALogP

2.815

Recuento HBD

1

Enlace rotable

4

Nombres e identificadores

Pubchem Sid

488196357

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488196357

Sonrisas canónicas

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

Isómeros SMILES

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
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 85 mg/mL (199.77 mM); Water: 10 mg/mL (23.5 mM)
• DMSO (mg/ml) Solubilidad máxima: 85
• DMSO (mM) Solubilidad máxima: 199.778568630987
• Agua (mg/ml) Solubilidad máxima: -1
• Agua (mM) Solubilidad 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