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Diiodohydroxyquinoline

CAT: 0931-T0513-03Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-T0513-03Size:5 g
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CAS Number
83-73-8
Target
Parasite, SARS-CoV, Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Purity
0.9801
Bioactivity
Diiodohydroxyquinoline (Iodoquinol), a topical therapeutic agent, has satisfactory antibacterial properties.
Smiles
Oc1c(I)cc(I)c2cccnc12
Molecular Formula
C9H5I2NO
Molecular Weight
396.95
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5,7-Diiodo-8-hydroxyquinoline

Iodoquinol is a monohydroxyquinoline that is quinolin-8-ol in which the hydrogens at positions 5 and 7 are replaced by iodine. It is considered the drug of choice for treating asymptomatic or moderate forms of amoebiasis. It has a role as an antiamoebic agent, an antibacterial agent, an antiprotozoal drug and an antiseptic drug. It is an organoiodine compound and a monohydroxyquinoline.

CAS Number83-73-8
PubChem CID3728
IUPAC Name5,7-diiodoquinolin-8-ol
Molecular FormulaC9H5I2NO
Molecular Weight396.95
XLogP3.1
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity190
SMILES
C1=CC2=C(C(=C(C=C2I)I)O)N=C1
InChI
InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey
UXZFQZANDVDGMM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Diiodo-8-hydroxyquinoline
CAS: 83-73-8
CID: 3728
Formula: C9H5I2NO
MW: 396.95
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight396.95
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass396.84606
Monoisotopic Mass396.84606
Topological Polar Surface Area33.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity190
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