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Clioquinol

CAT: 0127-BUP17767-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP17767-02Size:500 mg
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CAS Number
130-26-7
Synonyms
Chinoform, Iodochlorhydroxyquin
Purity
=95%
Smiles
OC1=C(I)C=C(Cl)C2=C1N=CC=C2

Chemical Information

Clioquinol

5-chloro-7-iodoquinolin-8-ol is a monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by chlorine and iodine, respectively. It has antibacterial and atifungal properties, and is used in creams for the treatment of skin infections. It has also been investigated as a chelator of copper and zinc ions for the possible treatment of Alzheimer's disease. It has a role as a copper chelator, an antimicrobial agent, an antibacterial agent, an antineoplastic agent, an antifungal agent, an antiprotozoal drug and a chelator. It is an organochlorine compound, an organoiodine compound and a monohydroxyquinoline.

CAS Number130-26-7
PubChem CID2788
IUPAC Name5-chloro-7-iodoquinolin-8-ol
Molecular FormulaC9H5ClINO
Molecular Weight305.50
XLogP3.5
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity192
SMILES
C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1
InChI
InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey
QCDFBFJGMNKBDO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clioquinol
CAS: 130-26-7
CID: 2788
Formula: C9H5ClINO
MW: 305.50
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight305.50
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass304.91044
Monoisotopic Mass304.91044
Topological Polar Surface Area33.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity192
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

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