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

CAS: 130104-32-4 Cat. No.: E651955 Fórmula: C₁₈H₁₅Cl₂N₃O₃ Peso molecular: 329.226301 Número CE: 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

Visão geral

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

Sinónimos

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,

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

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

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: 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)
• SMILES isoméricas: C1CC2=C(C(C3=CC=CC=C31)N4C=CN=C4)C(=CC(=C2)Cl)Cl.[N+](=O)(O)[O-]
• PubChem CID: 179851
• Peso molecular: 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
• Descrição: 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

Alvos associados (humanos)

HEK293 (82097 Activities)

Explore this target

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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Klebsiella pneumoniae (43867 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Cryptococcus neoformans (21258 Activities)

Explore this target

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

Candida albicans (78123 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 250 mg/mL (637.36 mM; Need ultrasonic)
• Peso molecular: 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

XLogP3