| Stereochemistry | ACHIRAL |
| Molecular Formula | C6Cl4O2 |
| Molecular Weight | 245.875 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
ClC1=C(Cl)C(=O)C(Cl)=C(Cl)C1=O
InChI
InChIKey=UGNWTBMOAKPKBL-UHFFFAOYSA-N
InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
| Molecular Formula | C6Cl4O2 |
| Molecular Weight | 245.875 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Chloranil is an oxidant, practically useful for dehydrogenation to aromatic and alpha,beta-desaturated carbonyl compounds. Chloranil was found to inhibit human carboxylesterases: carboxylesterase 1 and 2, acetylcholinesterase and butyrylcholinesterase. In 1950s chloranil ointment was used for the treatment of psoriasis and onychomycosis.
Originator
Approval Year
Sourcing
Sample Use Guides
For the treatment of psoriasis, chloranil was used as a 10% ointment.
Route of Administration:
Topical
Carboxylesterase (CE) inhibition was determined using a spectrophotometric multiwell plate assay with 3mM o-nitrophenyl acetate (o-NPA) as a substrate. Briefly, the test compound (100 uM) and substrate were aliquoted into wells and the enzyme was added using a multiwell pipettor. The rate of change in absorbance at 420 nm was measured at 15 s intervals for 5 min and compared to wells containing no inhibitor. Compounds that demonstrated 50% reduction in CE activity were subsequently evaluated in detail.
