| Stereochemistry | ACHIRAL |
| Molecular Formula | C13H13O4S.Na |
| Molecular Weight | 288.295 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CCOC1=CC2=C(C=C(S2)C([O-])=O)C=C1OCC
InChI
InChIKey=ILEWAUWOUIHKID-UHFFFAOYSA-M
InChI=1S/C13H14O4S.Na/c1-3-16-9-5-8-6-12(13(14)15)18-11(8)7-10(9)17-4-2;/h5-7H,3-4H2,1-2H3,(H,14,15);/q;+1/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C13H13O4S |
| Molecular Weight | 265.305 |
| Charge | -1 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Tibenelast is an orally active phosphodiesterase inhibitor that was undergoing phase II clinical trials in the USA as a bronchodilator. In preclinical studies Tibenelast is moderately active against the lung and stomach enzyme while being a very weak inhibitor of the heart enzyme and it does not inhibit enzymes involved in arachidonic acid metabolism. Tibenelast shows potent anti-anaphylactic activity in guinea pigs without cardiovascular effects at the bronchodilatory doses.
