Niclosamide Ethanolamine Salt - ≥98% , CAS No.1420-04-8

CAS: 1420-04-8 Cat. No.: C587196 Molecular Weight: 388.2 EC Number: 215-811-7

GRADE & PURITY ≥98%

Synonyms

Phenasal ethanolamine salt | SCHEMBL1871351 | Niclosamide-olamine | Ethanolamine salt of 5,2'-dichloro-4'-nitrosalicyclicanilide | 2',5-Dichloro-4'-nitrosalicylanilide, 2-aminoethanol salt | Baylucit | Clonitralid | Niclosamide (olamine) | UNII-QT8YUD1Z0W

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

Phenasal ethanolamine salt | SCHEMBL1871351 | Niclosamide-olamine | Ethanolamine salt of 5, 2'-dichloro-4'-nitrosalicyclicanilide | 2', 5-Dichloro-4'-nitrosalicylanilide, 2-aminoethanol salt | Baylucit | Clonitralid | Niclosamide (olamine) | UNII-QT8YUD1Z0W

Specifications & Purity

≥98%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N
• IUPAC Name: 2-aminoethanol;5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
• InChIKey: XYCDHXSQODHSLG-UHFFFAOYSA-N
• INCHI: 1S/C13H8Cl2N2O4.C2H7NO/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15;3-1-2-4/h1-6,18H,(H,16,19);4H,1-3H2
• Isomeric SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)O.C(CO)N
• Molecular Weight: 388.2
• Reaxy-Rn: 4078572
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4078572&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 3-halobenzoic acids and derivatives Salicylamides Benzamides Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds P-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Chlorobenzenes Aryl chlorides Vinylogous acids 1,2-aminoalcohols Secondary carboxylic acid amides Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Organochlorides Organic zwitterions Organic oxides Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Primary alcohols
• Molecular Framework: Not available
• Substituents: Benzanilide - Salicylamide - Salicylic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Benzamide - Benzoyl - Nitroaromatic compound - 4-halophenol - 4-chlorophenol - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aryl halide - Aryl chloride - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - 1,2-aminoalcohol - C-nitro compound - Organic nitro compound - Alkanolamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Primary aliphatic amine - Primary amine - Organic zwitterion - Amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary alcohol - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: 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: 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

Associated Targets(non-human)

Schistosoma japonicum (780 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: air sensitive；heat sensitive
• Melt Point(°C): 204 °C
• Molecular Weight: 388.200 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 387.039 Da
• Monoisotopic Mass: 387.039 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 414.000
• 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: 2

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