EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:31731 - isopropyl unoprostone
| Formula | C25H44O5 |
| Net Charge | 0 |
| Average Mass | 424.622 |
| Monoisotopic Mass | 424.31887 |
| SMILES | CCCCCCCC(=O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)OC(C)C)[C@@H](O)C[C@H]1O |
| 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 |
| InChIKey | XXUPXHKCPIKWLR-JHUOEJJVSA-N |
| Roles Classification |
|---|
| Applications: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism. antiglaucoma drug Any drug which can be used to prevent or alleviate glaucoma, a disease in which the optic nerve is damaged, resulting in progressive, irreversible loss of vision. It is often, though not always, associated with increased pressure of the fluid in the eye. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| isopropyl unoprostone (CHEBI:31731) has functional parent unoprostone (CHEBI:39455) |
| isopropyl unoprostone (CHEBI:31731) has role antiglaucoma drug (CHEBI:39456) |
| isopropyl unoprostone (CHEBI:31731) has role antihypertensive agent (CHEBI:35674) |
| isopropyl unoprostone (CHEBI:31731) has role prodrug (CHEBI:50266) |
| isopropyl unoprostone (CHEBI:31731) is a isopropyl ester (CHEBI:35725) |
| isopropyl unoprostone (CHEBI:31731) is a ketone (CHEBI:17087) |
| isopropyl unoprostone (CHEBI:31731) is a prostaglandins Fα (CHEBI:36066) |
| IUPAC Name |
|---|
| isopropyl (5Z,9α,11α)-9,11-dihydroxy-15-oxo-20a,20b-dihomoprost-5-en-1-oate |
| Synonyms | Source |
|---|---|
| propan-2-yl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-(3-oxodecyl)cyclopentyl]hept-5-enoate | IUPAC |
| Isopropyl unoprostone | ChemIDplus |
| UF 021 | ChemIDplus |
| unoprostone isopropyl ester | ChemIDplus |
| Brand Name | Source |
|---|---|
| Rescula | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:13432477 | Reaxys |
| CAS:120373-24-2 | ChemIDplus |
| CAS:120373-24-2 | KEGG DRUG |