ハラゾン - ≥90% , CAS No.80-13-7

CAS: 80-13-7 Cat. No.: H157083 分子式: C₇H₅Cl₂NO₄S 分子量: 270.08 EC番号: 201-253-1

GRADE & PURITY ≥90%

Synonyms

D90842 | halazone | KBio2_001319 | NSC60717 | NSC757053 | NSC-757053 | Tox21_111104_1 | Cloritines | Pentocid | SPBio_000739 | Spectrum2_000670 | Benzoic acid, 4-((dichloroamino)sulfonyl)- | Halazon | BSPBio_002094 | DTXSID9025370 | MFCD00045858 | Zeptabs

Storage

2～8℃で保存

Shipped In

濡れた氷

概要

製品概要：ハラゾン

ハラゾンは非定型抗菌剤スルホンアミド誘導体であり、Kd値1.45 µMの炭酸脱水酵素II阻害剤である。ハラゾンはナトリウムチャネルを不活性化から保護します。ハラゾンは飲料水の消毒に広く使用されている。

Specifications

同義語

D90842 | halazone | KBio2_001319 | NSC60717 | NSC757053 | NSC-757053 | Tox21_111104_1 | Cloritines | Pentocid | SPBio_000739 | Spectrum2_000670 | Benzoic acid, 4-((dichloroamino)sulfonyl)- | Halazon | BSPBio_002094 | DTXSID9025370 | MFCD00045858 | Zeptabs

仕様と純度

≥90%

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥90%

名前と識別子

• カノニカル・スマイル: C1=CC(=CC=C1C(=O)O)S(=O)(=O)N(Cl)Cl
• IUPAC Name: 4-(dichlorosulfamoyl)benzoic acid
• InChIKey: XPDVQPODLRGWPL-UHFFFAOYSA-N
• INCHI: 1S/C7H5Cl2NO4S/c8-10(9)15(13,14)6-3-1-5(2-4-6)7(11)12/h1-4H,(H,11,12)
• 異性体SMILES: C1=CC(=CC=C1C(=O)O)S(=O)(=O)N(Cl)Cl
• RTECS: DG8050000
• UN番号: 1479
• 包装グループ: I
• 分子量: 270.08
• Reaxy-Rn: 2740018
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2740018&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives Organosulfonic acids and derivatives Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzoic acid or derivatives - Benzoic acid - Benzenesulfonyl group - Benzoyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Slightly soluble in water; Slightly soluble in Chloroform
• 感度: Moisture sensitive
• 分子量: 270.090 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 268.932 Da
• Monoisotopic Mass: 268.932 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 329.000
• 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