Salicylanilide - 10mM in DMSO , CAS No.87-17-2

CAS: 87-17-2 Cat. No.: S426587 分子式: C₁₃H₁₁NO₂ 分子量: 213.23 Beilstein Registry Number: 1108135 EC番号: 201-727-8 PubChem CID: 6872

GRADE & PURITY 10mM in DMSO

Synonyms

Pharmakon1600-00300618 | Anilid kyseliny salicylove [Czech] | Salifebrin | CHEBI:239133 | HY-B1408 | NCGC00076924-03 | SALICYLANILIDE [WHO-DD] | AKOS000119673 | DTXCID501784 | o-Hydroxybenzanilide | S0007 | SALICYLANILIDE [MI] | Shirlan (VAN) | Shirlan Ex

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

Salicylanilide inhibited mycobacterial isocitrate lyase (ICL) and showed a significant antimycobacterial effect.

It is employed as a drug used to treat rheumatoid arthritis and has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors. It is used mainly in medicated soaps.

Specifications

同義語

Pharmakon1600-00300618 | Anilid kyseliny salicylove [Czech] | Salifebrin | CHEBI:239133 | HY-B1408 | NCGC00076924-03 | SALICYLANILIDE [WHO-DD] | AKOS000119673 | DTXCID501784 | o-Hydroxybenzanilide | S0007 | SALICYLANILIDE [MI] | Shirlan (VAN) | Shirlan Ex

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

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。

名前と識別子

パブケム・シド

528772805

カノニカル・スマイル

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2O

IUPAC Name

2-hydroxy-N-phenylbenzamide

InChIKey

WKEDVNSFRWHDNR-UHFFFAOYSA-N

INCHI

1S/C13H11NO2/c15-12-9-5-4-8-11(12)13(16)14-10-6-2-1-3-7-10/h1-9,15H,(H,14,16)

異性体SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2O

WGKドイツ

2

RTECS

VN7850000

PubChem CID

6872

分子量

213.23

Beilstein

1108135

Reaxy-Rn

1108135

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Salicylamides Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Salicylic acid or derivatives - Salicylamide - Benzamide - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: salicylanilides - salicylamides - benzanilide fungicide

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

• 沸点（°C）: 294.3ºC at 760 mmHg
• 融点（°C）: 136-138°C
• 分子量: 213.230 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.079 Da
• Monoisotopic Mass: 213.079 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 236.000
• 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