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Croconazole

CAT: 0931-T9878-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9878-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
77175-51-0
Target
Others, Antifungal, LTR, Lipoxygenase
Related Pathways
Others, Metabolism, Immunology/Inflammation, Microbiology/Virology
Purity
0.9991
Bioactivity
Croconazole exhibited dose-dependent inhibitory activity on the 5-lipoxygenase (5-LOX) of neutrophils. Croconazole is an antimycotic agent. The IC50s for the synthesis of leukotriene B4 (LTB4) and 5-hydroxyeicosatetraenoic acid (5-HETE) is 7.8 +/- 1.7 and
Smiles
C(=C)(C1=C(OCC2=CC(Cl)=CC=C2)C=CC=C1)N3C=CN=C3
Molecular Formula
C18H15ClN2O
Molecular Weight
310.78
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
BUP12429-01Croconazole
RM-C334200-01Croconazole; Viniconazole

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