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CROCONAZOLE

CAT: 0013-GTR19166717-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19166717-01Size:1 mg
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Description
Croconazole, an antimycotic agent, demonstrates dose-dependent inhibition of neutrophil 5-lipoxygenase (5-LOX), with IC50 values of 7.8 μM for LTB4 and 5-HETE synthesis. This activity supports its research use in studying eicosanoid pathways and inflammation in both cellular and biochemical assay systems.
CAS Number
77175-51-0
Product Name Alternative
CROCONAZOLE, Croconazole, 5-LOX, 5-HETE, LTB4
Field of Research
Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Pharmacology & Drug Discovery
Purity
99.71% (May vary between batches)
Solubility
Acetonitrile:1.55 mg/mL (4.99 mM) ; Methanol:1.55 mg/mL (4.99 mM) ; DMSO:50 mg/mL (160.89 mM)
Smiles
C (=C) (C1=C (OCC2=CC (Cl) =CC=C2) C=CC=C1) N3C=CN=C3
Molecular Formula
C18H15ClN2O
Molecular Weight
310.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Croconazole

Croconazole is an aromatic ether, a member of monochlorobenzenes, an imidazole antifungal drug and a conazole antifungal drug.

CAS Number77175-51-0
PubChem CID2880
IUPAC Name1-[1-[2-[(3-chlorophenyl)methoxy]phenyl]ethenyl]imidazole
Molecular FormulaC18H15ClN2O
Molecular Weight310.8
XLogP4.3
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity376
SMILES
C=C(C1=CC=CC=C1OCC2=CC(=CC=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C18H15ClN2O/c1-14(21-10-9-20-13-21)17-7-2-3-8-18(17)22-12-15-5-4-6-16(19)11-15/h2-11,13H,1,12H2
InChIKey
WHPAGCJNPTUGGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Croconazole
CAS: 77175-51-0
CID: 2880
Formula: C18H15ClN2O
MW: 310.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass310.0872908
Monoisotopic Mass310.0872908
Topological Polar Surface Area27.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity376
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T9878-01Croconazole
RM-C334200-01Croconazole; Viniconazole

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