Neticonazole Hydrochloride
Basic information
- CAS
130773-02-3- Standard SMILES
CCCCCOc1ccccc1/C(=C\SC)n1ccnc1.Cl- InChIKey
HAHMABKERDVYCH-ZUQRMPMESA-N- Molecular formula
- C17H23ClN2OS
- Average molar mass
- 338.9 g/mol
- Monoisotopic mass
- 338.1219622
Overview
Neticonazole hydrochloride is a hydrochloride resulting from the formal reaction of equimolar amounts of neticonazole and hydrogen chloride. An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan as an antifungal drug for the treatment of superficial skin infections. It has a role as an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal drug. It is a hydrochloride, an imidazole antifungal drug and a conazole antifungal drug. It contains a neticonazole(1+).
Names & identifiers
- Preferred name
- Neticonazole Hydrochloride
- IUPAC
- 1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride
- English name
- Neticonazole Hydrochloride
- Molecular formula
- C17H23ClN2OS
- Molecular weight
- 338.9
Names & synonyms
neticonazole hydrochloride130773-02-3SS717PKF582ZH6PSS-717CHEBI:31900SS 717RefChem:165543Neticonazole HClNeticonazole hydrochloride [JAN]Neticonazole (hydrochloride)(E)-1-(2-(Methylthio)-1-(2-(pentyloxy)phenyl)vinyl)-1H-imidazole hydrochloride
Show more names
Atolant1-[2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole hydrochloride1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole,hydrochloridelong-acting,colorectal,Neticonazole,antifungal,Neticonazole Hydrochloride,Imidazole,anti-cancer,nSMase2,Fungal,secretion,Inhibitor,p-ERK,anti-infection,inhibit,exosome
1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochlorideNeticonazole hydrochloride (JAN)C17H23ClN2OSUNII-PKF582ZH6PNewralAtolant (TN)(E)-(1-(2-Pentyloxyphenyl)-1-imidazolyl-2-methylthio)ethylene hydrochloride(E)-1-(2-(Methylthio)-1-(2-(pentyloxy)phenyl)ethenyl)-1H-imidazole monohydrochloride
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Melting point
- 145 · 145-147°
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 250 mg/mL · DMSO: 250 mg/mL (737.68 mM)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 582 ZH6P · PKF582ZH6P
Chemistry & industry
Applications
DescriptionNeticonazole hydrochloride is a novel imidazole antifungal agent introduced for the treatment of infections caused by Candida species. One percent neticonazole cream oncedaily application has been reported to be effective in treating patients with tinea pedis, tinea corporis, tinea cruris, intertrigo-type candidiasis, erosio interdigitalis and tinea versicolor. Compared with other agents of the azole class, neticonazole has the most potent activity against a variety of fungi, including the dermatophytes and pathogenic yeasts. It also has activity against Gram-positive, but not Gram-negative bacteria.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Neticonazole hydrochloride is a hydrochloride resulting from the formal reaction of equimolar amounts of neticonazole and hydrogen chloride. An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan as an antifungal drug for the treatment of superficial skin infections. It has a role as an antifungal drug and an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor. It is a hydrochloride, an imidazole antifungal drug and a conazole antifungal drug. It contains a neticonazole(1+).
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