Hydroxy Ziprasidone - ≥99% , CAS No.884305-08-2

CAS: 884305-08-2 Cat. No.: H1266282 分子式: C₂₁H₂₁ClN₄O₂S 分子量: 428.94 PubChem CID: 11597135

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

仕様と純度

≥99%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ANTAGONIST

純度

≥99%

名前と識別子

• カノニカル・スマイル: C1CN(CCN1CC(C2=C(C=C3C(=C2)CC(=O)N3)Cl)O)C4=NSC5=CC=CC=C54
• IUPAC Name: 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-1-hydroxyethyl]-6-chloro-1,3-dihydroindol-2-one
• InChIKey: IYNREZQRIITXHB-UHFFFAOYSA-N
• INCHI: 1S/C21H21ClN4O2S/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/h1-4,9,11,18,27H,5-8,10,12H2,(H,23,28)
• 異性体SMILES: C1CN(CCN1CC(C2=C(C=C3C(=C2)CC(=O)N3)Cl)O)C4=NSC5=CC=CC=C54
• PubChem CID: 11597135
• 分子量: 428.94

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Benzothiazoles Indolines Dialkylarylamines Aralkylamines N-alkylpiperazines Aminothiazoles Aryl chlorides Benzenoids Imidolactams Heteroaromatic compounds Secondary alcohols Secondary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols Organochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - 1,2-benzothiazole - Indole or derivatives - Dihydroindole - Dialkylarylamine - N-alkylpiperazine - Aralkylamine - 1,2-thiazolamine - Aryl chloride - Aryl halide - Benzenoid - Imidolactam - Thiazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Aromatic alcohol - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Amine - Alcohol - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: 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

化学的性質と物理的性質

• 分子量: 428.900 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 428.107 Da
• Monoisotopic Mass: 428.107 Da
• Topological Polar Surface Area: 96.900 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 605.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1