Products for Research Use Only
RegisterLogin

Isoconazole

CAT: 0013-GTR19274591-01Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19274591-01Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Isoconazole is an antifungal agent effective against Candida infections. Isoconazole, a broad-spectrum imidazole-class antimicrobial drug, is utilized in the study of dermatomycoses.
CAS Number
27523-40-6
Smiles
ClC1=CC=C (C (Cl) =C1) C (OCC=2C (Cl) =CC=CC2Cl) CN3C=NC=C3
Molecular Formula
C18H14Cl4N2O
Molecular Weight
416.12
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoconazole

1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole is a member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1. It is a dichlorobenzene, a member of imidazoles and an ether.

CAS Number27523-40-6
PubChem CID3760
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
Molecular FormulaC18H14Cl4N2O
Molecular Weight416.1
XLogP5.3
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity407
SMILES
C1=CC(=C(C(=C1)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C18H14Cl4N2O/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21/h1-8,11,18H,9-10H2
InChIKey
MPIPASJGOJYODL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoconazole
CAS: 27523-40-6
CID: 3760
Formula: C18H14Cl4N2O
MW: 416.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.1
XLogP35.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass415.983074
Monoisotopic Mass413.986024
Topological Polar Surface Area27.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity407
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
FI137461-01Isoconazole
MBS384134-01Isoconazole nitrate
HY-B1444-01Isoconazole (nitrate)

Popular Products