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

CAS: 884305-07-1 Cat. No.: K929845 분자식: C₂₁H₁₉ClN₄O₂S 분자량: 426.92 PubChem CID: 11647589

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ANTAGONIST

순수함

≥98%

이름과 식별자

정식 스마일

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)

이성체 SMILES

C1CN(CCN1CC(=O)C2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54

PubChem CID

11647589

분자량

426.92

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 분자량: 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 884305-07-1, the molecular formula is C21H19ClN4O2S, and the molecular weight is 426.92 g/mol. InChIKey SJOODKMSLMNGEY-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.