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Econazole

CAT: 0013-GTR19162430-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19162430-01Size:1 g
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Description
Econazole is an antifungal compound of the imidazole class.
CAS Number
27220-47-9
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 89 mg/mL; Ethanol: 5 mg/mL; Water: <1 mg/mL
Smiles
ClC1=CC=C (COC (CN2C=CN=C2) C2=C (Cl) C=C (Cl) C=C2) C=C1
Molecular Formula
C18H15Cl3N2O
Molecular Weight
381.68
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Econazole

1-{2-(4-chlorobenzyloxy)-2-(2,4-dichlorophenyl)ethyl}imidazole is a member of the class of imidazoles that is 1-(2,4-dichlorophenyl)-2-(imidazol-1-yl)ethanol in which the hydroxyl hydrogen is replaced by a 4-chlorobenzyl group. It is a dichlorobenzene, a member of imidazoles, an ether and a member of monochlorobenzenes.

CAS Number27220-47-9
PubChem CID3198
IUPAC Name1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Molecular FormulaC18H15Cl3N2O
Molecular Weight381.7
XLogP5.3
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity379
SMILES
C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2
InChIKey
LEZWWPYKPKIXLL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Econazole
CAS: 27220-47-9
CID: 3198
Formula: C18H15Cl3N2O
MW: 381.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.7
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass380.024996
Monoisotopic Mass380.024996
Topological Polar Surface Area27.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity379
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C6388-5000Econazole
B1937-SEconazole nitrate
HY-B0885R-01Econazole (Standard)

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