Closantel Sodium - 10mM in DMSO , CAS No.61438-64-0

CAS: 61438-64-0 Cat. No.: C425089 Molecular Weight: 685.06 EC Number: 262-794-7 PubChem CID: 23683671

GRADE & PURITY 10mM in DMSO

Synonyms

0ZBS9YC04P | N-(5-Chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3,5-diiodobenzamide, sodium salt | Sodium N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-o-tolyl)-2-hydroxy-3,5-diiodobenzamidate | CCG-270373 | sodium 2-((5-chloro-4-((4-ch

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Closantel is a gram positive antibacterial activity inhibitor, inhibiting the KinA/Spo0F system with IC50 of 3.8 μM.
Closantel is a salicylanilide anthelmintic compound; exhibits different anthelmintic spectra and apparent toxicity in mammals

Specifications

Synonyms

0ZBS9YC04P | N-(5-Chloro-4-((4-chlorophenyl)(cyano)methyl)-2-methylphenyl)-2-hydroxy-3, 5-diiodobenzamide, sodium salt | Sodium N-(5-chloro-4-((4-chlorophenyl)cyanomethyl)-o-tolyl)-2-hydroxy-3, 5-diiodobenzamidate | CCG-270373 | sodium 2-((5-chloro-4-((4-ch

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Antiparasitic agent. Inhibits CpxRAP and HK. Selectively inhibits OvCHT1 in vivo. Orally active.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)[O-])Cl)C(C#N)C3=CC=C(C=C3)Cl.[Na+]
• IUPAC Name: sodium;2-[[5-chloro-4-[(4-chlorophenyl)-cyanomethyl]-2-methylphenyl]carbamoyl]-4,6-diiodophenolate
• InChIKey: LREGMDNUOGTSIK-UHFFFAOYSA-M
• INCHI: 1S/C22H14Cl2I2N2O2.Na/c1-11-6-15(17(10-27)12-2-4-13(23)5-3-12)18(24)9-20(11)28-22(30)16-7-14(25)8-19(26)21(16)29;/h2-9,17,29H,1H3,(H,28,30);/q;+1/p-1
• Isomeric SMILES: CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)[O-])Cl)C(C#N)C3=CC=C(C=C3)Cl.[Na+]
• PubChem CID: 23683671
• Molecular Weight: 685.06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylacetonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylacetonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylacetonitriles
• Alternative Parents: Benzanilides Diphenylmethanes 3-halobenzoic acids and derivatives Benzamides Benzoyl derivatives Toluenes Phenoxides Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Vinylogous acids Secondary carboxylic acid amides Organic metal halides Nitriles Organopnictogen compounds Organooxygen compounds Organoiodides Organochlorides Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Diphenylacetonitrile - Aromatic anilide - Diphenylmethane - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Benzoyl - Toluene - Phenoxide - Iodobenzene - Halobenzene - Chlorobenzene - Aryl iodide - Aryl halide - Aryl chloride - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Organic metal halide - Organic alkali metal salt - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
• 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

Chemical and Physical Properties

• Molecular Weight: 685.100 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 683.834 Da
• Monoisotopic Mass: 683.834 Da
• Topological Polar Surface Area: 76.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 659.000
• 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: 2

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