Ziprasidone mesylate trihydrate - ≥95% , Dopamine D2 receptor antagonist, CAS No.199191-69-0, Dopamine D2 receptor antagonist

CAS: 199191-69-0 Cat. No.: Z670988 Molecular Weight: 563.09 EC Number: 110-966-6 PubChem CID: 656685

GRADE & PURITY ≥95%

Synonyms

Ziprasidone mesylate | ZIPRASIDONE MESILATE [MART.] | Ziprasidone (mesylate hydrate) | CP88059 | UNII-3X6SAX83JZ | CHEMBL3989833 | Ziprasidone mesylate (USAN) | 2H-INDOL-2-ONE, 5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)ETHYL)-6-CHLORO-1,3-DIHYDRO-,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Ziprasidone (CP-88059) mesylate trihydrate is a 5-HT and dopamine receptor antagonist. Ziprasidone mesylate trihydrate has affinities for Rat D2 (Ki=4.8 nM), 5-HT2A (Ki=0.42 nM) and 5-HT1A (Ki=3.4 nM).

Specifications

Synonyms

Ziprasidone mesylate | ZIPRASIDONE MESILATE [MART.] | Ziprasidone (mesylate hydrate) | CP88059 | UNII-3X6SAX83JZ | CHEMBL3989833 | Ziprasidone mesylate (USAN) | 2H-INDOL-2-ONE, 5-(2-(4-(1, 2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)ETHYL)-6-CHLORO-1, 3-DIHYDRO-,

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Dopamine D2 receptor antagonist

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.O.O
• IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;methanesulfonic acid;trihydrate
• InChIKey: WLQZEFFFIUHSJB-UHFFFAOYSA-N
• INCHI: 1S/C21H21ClN4OS.CH4O3S.3H2O/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;1-5(2,3)4;;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4);3*1H2
• Isomeric SMILES: CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.O.O
• PubChem CID: 656685
• Molecular Weight: 563.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Benzothiazoles Indolines Phenethylamines Dialkylarylamines N-alkylpiperazines Aralkylamines Aminothiazoles Imidolactams Aryl chlorides Organosulfonic acids Sulfonyls Methanesulfonates Heteroaromatic compounds Alkanesulfonic acids Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: N-arylpiperazine - Phenethylamine - 1,2-benzothiazole - Dihydroindole - Indole or derivatives - Dialkylarylamine - Aralkylamine - N-alkylpiperazine - 1,2-thiazolamine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Alkanesulfonic acid - Heteroaromatic compound - Thiazole - Methanesulfonate - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Lactam - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: 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: hydrate - methanesulfonate salt

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

Chemical and Physical Properties

• Molecular Weight: 563.100 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 4
• Exact Mass: 562.132 Da
• Monoisotopic Mass: 562.132 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 665.000
• 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: 5

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