Keto Ziprasidone - ≥98% , CAS No.884305-07-1

CAS: 884305-07-1 Cat. No.: K929845 Molecular Weight: 426.92 PubChem CID: 11647589

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Specifications & Purity

≥98%

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CN(CCN1CC(=O)C2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
• IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]acetyl]-6-chloro-1,3-dihydroindol-2-one
• InChIKey: SJOODKMSLMNGEY-UHFFFAOYSA-N
• INCHI: 1S/C21H19ClN4O2S/c22-16-11-17-13(10-20(28)23-17)9-15(16)18(27)12-25-5-7-26(8-6-25)21-14-3-1-2-4-19(14)29-24-21/h1-4,9,11H,5-8,10,12H2,(H,23,28)
• Isomeric SMILES: C1CN(CCN1CC(=O)C2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54
• PubChem CID: 11647589
• Molecular Weight: 426.92

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 Aryl alkyl ketones Dialkylarylamines N-alkylpiperazines Aryl chlorides Benzenoids Aminothiazoles Imidolactams Heteroaromatic compounds Vinylogous halides Alpha-amino ketones Secondary carboxylic acid amides Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Indole or derivatives - Dihydroindole - 1,2-benzothiazole - Aryl ketone - Aryl alkyl ketone - Dialkylarylamine - N-alkylpiperazine - Imidolactam - Benzenoid - Aryl chloride - 1,2-thiazolamine - Aryl halide - Vinylogous halide - Heteroaromatic compound - Alpha-aminoketone - Thiazole - Azole - Amino acid or derivatives - Ketone - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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: 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

Chemical and Physical Properties

• Molecular Weight: 426.900 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 426.092 Da
• Monoisotopic Mass: 426.092 Da
• Topological Polar Surface Area: 93.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 644.000
• 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: 1