Unoprostone isopropylProduct ingredient for Unoprostone
- Name
- Unoprostone isopropyl
- Drug Entry
- Unoprostone
Unoprostone isopropyl is a prostaglandin analogue. Ophthalmic Solution 0.15% is a synthetic docosanoid. Unoprostone isopropyl has the chemical name isopropyl (+)-(Z)-7-[(1R,2R,3R,5S)-3,5 dihydroxy-2-(3-oxodecyl)cyclopentyl]-5-heptenoate. The main indication of Unoprostane is treatment of glucoma.
- Accession Number
- DBSALT001760
- Structure
- Synonyms
- isopropyl unoprostone / unoprostone isopropyl ester
- UNII
- 5M161S5O5P
- CAS Number
- 120373-24-2
- Weight
- Average: 424.622
Monoisotopic: 424.318874517 - Chemical Formula
- C25H44O5
- InChI Key
- XXUPXHKCPIKWLR-JHUOEJJVSA-N
- InChI
- InChI=1S/C25H44O5/c1-4-5-6-7-10-13-20(26)16-17-22-21(23(27)18-24(22)28)14-11-8-9-12-15-25(29)30-19(2)3/h8,11,19,21-24,27-28H,4-7,9-10,12-18H2,1-3H3/b11-8-/t21-,22-,23+,24-/m1/s1
- IUPAC Name
- propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate
- SMILES
- CCCCCCCC(=O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OC(C)C
- External Links
- KEGG Drug
- D01452
- ChemSpider
- 4445370
- ChEBI
- 31731
- ChEMBL
- CHEMBL1200661
- ZINC
- ZINC000014234780
- Wikipedia
- Unoprostone
- Predicted Properties
Property Value Source Water Solubility 0.00676 mg/mL ALOGPS logP 5.19 ALOGPS logP 4.83 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 14.55 Chemaxon pKa (Strongest Basic) -2.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 83.83 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 121.62 m3·mol-1 Chemaxon Polarizability 51.57 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon