Fenticonazole Nitrate - ≥99% , CAS No.73151-29-8

CAS: 73151-29-8 Cat. No.: F129369 Fórmula: C₂₄H₂₀Cl₂N₂OS·HNO₃ Peso molecular: 518.41 Número EC: 277-302-6

CALIDAD & PUREZA ≥99%

Synonyms

HMS3655J11 | EINECS 277-302-6 | Fenticonazole mononitrate | HY-B0359 | 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid | Fenticonazole nitrate (USAN) | Gynoxin | 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((4-(pheny

Storage

Room temperature

Shipped In

Normal

Descripción general

Fenticonazole Nitrate is an azole antifungal drug that inhibits CYP51A1 (14 α-demethylase) and ergosterol production. It shows active effects against Malassezia furfur and Candida albicans in vivo.
An azole antifungal drug that inhibits CYP51A1

Especificaciones

Sinónimos

HMS3655J11 | EINECS 277-302-6 | Fenticonazole mononitrate | HY-B0359 | 1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid | Fenticonazole nitrate (USAN) | Gynoxin | 1H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((4-(pheny

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

Fenticonazole Nitrate is an antifungal imidazole ring derivative.

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

488183373

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183373

Sonrisas canónicas

C1=CC=C(C=C1)SC2=CC=C(C=C2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]

IUPAC Name

1-[2-(2,4-dichlorophenyl)-2-[(4-phenylsulfanylphenyl)methoxy]ethyl]imidazole;nitric acid

InChIKey

FJNRUWDGCVDXLU-UHFFFAOYSA-N

INCHI

1S/C24H20Cl2N2OS.HNO3/c25-19-8-11-22(23(26)14-19)24(15-28-13-12-27-17-28)29-16-18-6-9-21(10-7-18)30-20-4-2-1-3-5-20;2-1(3)4/h1-14,17,24H,15-16H2;(H,2,3,4)

Isómeros SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl.[N+](=O)(O)[O-]

CAS alternativo

72479-26-6

Peso molecular

518.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Benzylethers Thiophenol ethers Dichlorobenzenes Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Organic nitrates Organic nitric acids Organic nitro compounds Azacyclic compounds Sulfenyl compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diarylthioether - Benzylether - 1,3-dichlorobenzene - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Aryl chloride - Heteroaromatic compound - Azole - Imidazole - Organic nitrate - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Organooxygen compound - Organic oxygen compound - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• External Descriptors: racemate - conazole antifungal drug - imidazole antifungal drug

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

Objetivos asociados (no humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 104 mg/mL Water <1 mg/mL Ethanol 2 mg/mL
• Punto de fusión (°C): 135 °C
• Peso molecular: 518.400 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 517.063 Da
• Monoisotopic Mass: 517.063 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 524.000
• 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