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

CAS: 217797-14-3 Cat. No.: P413251 Formule: C₁₉H₂₀FNO₃.CH₄O₃S Poids moléculaire: 425.47 Numéro 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Serotonin transporter inhibitor

Pureté

≥98%

Propriétés du produit

ALogP

2.815

Nombre de HBD

1

Liaison rotative

4

Noms et identifiants

Pubchem Sid

488196357

Pubchem Sid Url

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

Sourires canoniques

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

Isomères 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

Poids moléculaire

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
• 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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 85 mg/mL (199.77 mM); Water: 10 mg/mL (23.5 mM)
• DMSO (mg/mL) Solubilité maximale: 85
• DMSO (mM) Solubilité maximale: 199.778568630987
• Eau (mg/mL) Solubilité maximale: -1
• Eau (mM) Solubilité maximale: -2.35033610154102
• Poids moléculaire: 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