Oxyclozanide - ≥95% , CAS No.2277-92-1

CAS: 2277-92-1 Cat. No.: O332465 Formula: C₁₃H₆Cl₅NO₃ Molecular Weight: 401.46 EC Number: 218-904-0

GRADE & PURITY ≥95%

Synonyms

BRN 2014120 | ICI 46638 | Oxyclosanid-13C6 | 3,3',5,5',6-Pentachloro-2'-hydroxysalicylanilide | ICI 46683 | SMR004701204 | C13H6Cl5NO3 | Oxyclozanide [INN:BAN] | Oxyclozanide, VETRANAL(TM), analytical standard | 3,5,6,3',5'-Pentachloro-2,2'-dihydroxybenza

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

BRN 2014120 | ICI 46638 | Oxyclosanid-13C6 | 3,3',5,5',6-Pentachloro-2'-hydroxysalicylanilide | ICI 46683 | SMR004701204 | C13H6Cl5NO3 | Oxyclozanide [INN:BAN] | Oxyclozanide, VETRANAL(TM), analytical standard | 3,5,6,3',5'-Pentachloro-2,2'-dihydroxybenza

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504752779
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752779
• Canonical Smiles: C1=C(C=C(C(=C1NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl)Cl
• IUPAC Name: 2,3,5-trichloro-N-(3,5-dichloro-2-hydroxyphenyl)-6-hydroxybenzamide
• InChIKey: JYWIYHUXVMAGLG-UHFFFAOYSA-N
• INCHI: 1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)
• Isomeric SMILES: C1=C(C=C(C(=C1NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl)Cl
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 401.46
• Reaxy-Rn: 2014120
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2014120&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: Salicylamides 2-halobenzoic acids and derivatives 3-halobenzoic acids and derivatives Benzamides P-chlorophenols Benzoyl derivatives O-chlorophenols M-chlorophenols Dichlorobenzenes Aryl chlorides Vinylogous halides Vinylogous acids Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Salicylamide - Salicylic acid or derivatives - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,3-dichlorobenzene - 4-halophenol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - 4-chlorophenol - Phenol - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Vinylogous acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organonitrogen compound - Organohalogen compound - Organochloride - Organopnictogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen 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(Human)

HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

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

FZD1 Tchem Frizzled-1 (143 Activities)

Discover Target: FZD1

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mycobacterium tuberculosis (203094 Activities)

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Vero (26788 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Paramphistomum (98 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 401.400 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 400.876 Da
• Monoisotopic Mass: 398.879 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 415.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2277-92-1, the molecular formula is C13H6Cl5NO3, and the molecular weight is 401.46 g/mol. InChIKey JYWIYHUXVMAGLG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.