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Ciclopirox Olamine

CAT: 0024-sc-204688Size: 1 gDry Ice: NoHazardous: No
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CAS Number
41621-49-2

Chemical Information

Ciclopirox Olamine

Ciclopirox Olamine is the olamine salt form of ciclopirox, a synthetic, broad-spectrum antifungal agent with additional antibacterial and anti-inflammatory activities. Ciclopirox exerts its action by binding to and chelating trivalent cations, such as Fe3+ and Al3+, thereby inhibiting the availability of essential co-factors for enzymes. This may lead to a loss of activity of enzymes that are essential for cellular metabolism, organization of cell wall structure and other crucial cell functions. In addition, ciclopirox exerts its anti-inflammatory activity by inhibiting 5-lipoxygenase and cyclooxygenase (COX).

CAS Number41621-49-2
PubChem CID38911
IUPAC Name2-aminoethanol;6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
Molecular FormulaC14H24N2O3
Molecular Weight268.35
Topological Polar Surface Area86.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N
InChI
InChI=1S/C12H17NO2.C2H7NO/c1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10;3-1-2-4/h7-8,10,15H,2-6H2,1H3;4H,1-3H2
InChIKey
MBRHNTMUYWQHMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ciclopirox Olamine
CAS: 41621-49-2
CID: 38911
Formula: C14H24N2O3
MW: 268.35
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight268.35
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass268.17869263
Monoisotopic Mass268.17869263
Topological Polar Surface Area86.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes