Ecabet sodiumProduct ingredient for Ecabet
- Name
- Ecabet sodium
- Drug Entry
- Ecabet
Ecabet is a prescription eye drop for the treatment of dry eye syndrome. Ecabet represents a new class of molecules that increases the quantity and quality of mucin produced by conjunctival goblet cells and corneal epithelia. Mucin is a glycoprotein component of tear film that lubricates while retarding moisture loss from tear evaporation. Ecabet is currently marketed in Japan as an oral agent for treatment of gastric ulcers and gastritis.
- Accession Number
- DBSALT000062
- Structure
Structure for Ecabet sodium (DBSALT000062)
- Synonyms
- Ecabet monosodium / Ecabet sodium salt / Sulfodehydroabietic acid monosodium salt
- External IDs
- TA-2711
- UNII
- 51MO2B2OSB
- CAS Number
- 86408-72-2
- Weight
- Average: 402.48
Monoisotopic: 402.14768942 - Chemical Formula
- C20H27NaO5S
- InChI Key
- RCVIHORGZULVTN-YGJXXQMASA-M
- InChI
- InChI=1S/C20H28O5S.Na/c1-12(2)14-10-13-6-7-17-19(3,8-5-9-20(17,4)18(21)22)15(13)11-16(14)26(23,24)25;/h10-12,17H,5-9H2,1-4H3,(H,21,22)(H,23,24,25);/q;+1/p-1/t17-,19-,20-;/m1./s1
- IUPAC Name
- sodium (4bS,8R,8aR)-8-carboxy-4b,8-dimethyl-2-(propan-2-yl)-4b,5,6,7,8,8a,9,10-octahydrophenanthrene-3-sulfonate
- SMILES
- [Na+].[H][C@@]12CCC3=CC(C(C)C)=C(C=C3[C@@]1(C)CCC[C@@]2(C)C(O)=O)S([O-])(=O)=O
- External Links
- PubChem Compound
- 23673618
- ChemSpider
- 570992
- ChEMBL
- CHEMBL3186947
- Predicted Properties
Property Value Source Water Solubility 0.0023 mg/mL ALOGPS logP 3.55 ALOGPS logP 4.93 Chemaxon logS -5.2 ALOGPS pKa (Strongest Acidic) -1.5 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 94.5 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 98.94 m3·mol-1 Chemaxon Polarizability 40.82 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon