Eberconazole nitrate - ≥99% , CAS No.130104-32-4

CAS: 130104-32-4 Cat. No.: E651955 Formula: C₁₈H₁₅Cl₂N₃O₃ Peso molecolare: 329.226301 Numero EC: 629-771-7 PubChem CID: 179851

GRADE & PURITY ≥99%

Synonyms

1H-IMIDAZOLE, 1-(2,4-DICHLORO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)-, NITRATE (1:1) | DTXSID80926597 | Eberconazole nitrate | MS-26547 | Nitric acid--1-(2,4-dichloro-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-1H-imidazole (1/1) | 1H-Imidazole,

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Panoramica

Eberconazole nitrate is a dichlorinated imidazole derivative with antifungal activity. Eberconazole nitrate is more active than Clotrimazole, Ketoconazole, and Miconazole. Eberconazole nitrate has the potential for the research of dermatophytoses with a topical administration.

Form:Solid

Specifications

Sinonimi

1H-IMIDAZOLE, 1-(2,4-DICHLORO-10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YL)-, NITRATE (1:1) | DTXSID80926597 | Eberconazole nitrate | MS-26547 | Nitric acid--1-(2,4-dichloro-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-yl)-1H-imidazole (1/1) | 1H-Imidazole,

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Eberconazole nitrate is a dichlorinated imidazole derivative with antifungal activity. Eberconazole nitrate is more active than Clotrimazole, Ketoconazole, and Miconazole. Eberconazole nitrate has the potential for the research of dermatophytoses with a

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light,Desiccated

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl.[N+](=O)(O)[O-]
• IUPAC Name: 1-(4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)imidazole;nitric acid
• InChIKey: DPHMSVRBAXJSPF-UHFFFAOYSA-N
• INCHI: 1S/C18H14Cl2N2.HNO3/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22;2-1(3)4/h1-4,7-11,18H,5-6H2;(H,2,3,4)
• Isomeri SMILES: C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl.[N+](=O)(O)[O-]
• PubChem CID: 179851
• Peso molecolare: 329.226301

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Dibenzocycloheptenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Dibenzocycloheptenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dibenzocycloheptenes
• Alternative Parents: N-substituted imidazoles Aryl chlorides Organic nitrates Heteroaromatic compounds Organic nitro compounds Organic nitric acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dibenzocycloheptene - N-substituted imidazole - Aryl halide - Aryl chloride - Heteroaromatic compound - Organic nitrate - Imidazole - Azole - Organic nitro compound - Organic nitric acid or derivatives - Organic nitric acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene 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

Obiettivi associati (umani)

HEK293 (82097 Activities)

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Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 250 mg/mL (637.36 mM; Need ultrasonic)
• Peso molecolare: 392.200 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 391.049 Da
• Monoisotopic Mass: 391.049 Da
• Topological Polar Surface Area: 83.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 416.000
• 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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