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Neticonazole hydrochloride

CAT: 0607-C8715-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-C8715-5.1Size:1 mL (10 mM in DMSO)
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Description
An imidazole antifungal
CAS Number
130773-02-3
Product Name Alternative
(E) -1- (2- (methylthio) -1- (2- (pentyloxy) phenyl) vinyl) -1H-imidazole hydrochloride
Solubility
≥46.5 mg/mL in DMSO; ≥24.55 mg/mL in EtOH; ≥24.75 mg/mL in H2O with ultrasonic
Smiles
CCCCCOC1=CC=CC=C1/C (N2C=CN=C2) =C\SC.Cl
Molecular Formula
C17H23ClN2OS
Molecular Weight
338.90
Storage Conditions
Store at 4°C sealed and dried.

Chemical Information

Neticonazole Hydrochloride

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+).

CAS Number130773-02-3
PubChem CID5282432
IUPAC Name1-[(E)-2-methylsulfanyl-1-(2-pentoxyphenyl)ethenyl]imidazole;hydrochloride
Molecular FormulaC17H23ClN2OS
Molecular Weight338.9
Topological Polar Surface Area52.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count22
Formal Charge0
Complexity322
SMILES
CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2.Cl
InChI
InChI=1S/C17H22N2OS.ClH/c1-3-4-7-12-20-17-9-6-5-8-15(17)16(13-21-2)19-11-10-18-14-19;/h5-6,8-11,13-14H,3-4,7,12H2,1-2H3;1H/b16-13+;
InChIKey
HAHMABKERDVYCH-ZUQRMPMESA-N
Chemical Structure
2D Structure
2D structure of Neticonazole Hydrochloride
CAS: 130773-02-3
CID: 5282432
Formula: C17H23ClN2OS
MW: 338.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass338.1219622
Monoisotopic Mass338.1219622
Topological Polar Surface Area52.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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