Ziprasidona HCl - ≥98% , CAS No.122883-93-6

CAS: 122883-93-6 Cat. No.: E129717 Fórmula: C₂₁H₂₁ClN₄OS·HCl Peso molecular: 449.4 Número EC: 602-903-0

GRADE & PURITY ≥98%

Synonyms

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)-ethyl)-6-chloroindolin-2-one hydrochloride | 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one hydrochloride | CHEBI:32314 | Z0032 | 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperaziny

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

El hidrocloruro de ziprasidona es un antagonista combinado de los receptores 5-HT (serotonina) y dopamina. El hidrocloruro de ziprasidona tiene una alta afinidad por los receptores 5-HT1A de rata (Ki: 3,4 nM)/humanos (2,5 nM), 5-HT2A (0,42 nM) y los receptores dopaminérgicos D2 (4,8 nM). El hidrocloruro de ziprasidona es un inhibidor de la recaptación de norepinefrina.

Specifications

Sinónimos

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)-ethyl)-6-chloroindolin-2-one hydrochloride | 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one hydrochloride | CHEBI:32314 | Z0032 | 5-[2-[4-(1,2-benzisothiazol-3-yl)-1-piperaziny

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757875
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757875
• Sonrisas canónicas: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.Cl
• IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;hydrochloride
• InChIKey: NZDBKBRIBJLNNT-UHFFFAOYSA-N
• INCHI: 1S/C21H21ClN4OS.ClH/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;/h1-4,11,13H,5-10,12H2,(H,23,27);1H
• Isómeros SMILES: C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.Cl
• Peso molecular: 449.4
• Reaxy-Rn: 7455811
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7455811&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Phenethylamines Indolines Benzothiazoles Dialkylarylamines Aralkylamines N-alkylpiperazines Aminothiazoles Imidolactams Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - 1,2-benzothiazole - Indole or derivatives - Dihydroindole - Phenethylamine - Dialkylarylamine - N-alkylpiperazine - Aralkylamine - Imidolactam - Benzenoid - 1,2-thiazolamine - Aryl chloride - Aryl halide - Heteroaromatic compound - Thiazole - Azole - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Amine - Hydrochloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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

Objetivos asociados (humanos)

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 90 mg/mL (200.26 mM);Water <1 mg/mL (<1 mM);Ethanol <1 mg/mL (<1 mM)
• Peso molecular: 449.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 448.089 Da
• Monoisotopic Mass: 448.089 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 573.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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