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

CAS: 217797-14-3 Cat. No.: P413251 Formula: C₁₉H₂₀FNO₃.CH₄O₃S Peso molecolare: 425.47 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Serotonin transporter inhibitor

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2.815
• Conteggio HBD: 1
• Legame rotabile: 4

Nomi e identificatori

• Pubchem Sid: 488196357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196357
• Sorrisi canonici: 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
• Isomeri 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 molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 85 mg/mL (199.77 mM); Water: 10 mg/mL (23.5 mM)
• DMSO (mg/mL) Solubilità massima: 85
• DMSO (mM) Solubilità massima: 199.778568630987
• Acqua (mg/mL) Solubilità massima: -1
• Acqua (mM) Solubilità massima: -2.35033610154102
• Peso molecolare: 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