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CHEBI:144552 - (R)-oxybutynin
| Formula | C22H31NO3 |
| Net Charge | 0 |
| Average Mass | 357.494 |
| Monoisotopic Mass | 357.23039 |
| SMILES | CCN(CC)CC#CCOC(=O)[C@](O)(c1ccccc1)C1CCCCC1 |
| InChI | InChI=1S/C22H31NO3/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3/t22-/m0/s1 |
| InChIKey | XIQVNETUBQGFHX-QFIPXVFZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | calcium channel blocker One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools. cholinergic antagonist Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. |
| Applications: | cholinergic antagonist Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. local anaesthetic Any member of a group of drugs that reversibly inhibit the propagation of signals along nerves. Wide variations in potency, stability, toxicity, water-solubility and duration of action determine the route used for administration, e.g. topical, intravenous, epidural or spinal block. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (R)-oxybutynin (CHEBI:144552) has role calcium channel blocker (CHEBI:38215) |
| (R)-oxybutynin (CHEBI:144552) has role cholinergic antagonist (CHEBI:48873) |
| (R)-oxybutynin (CHEBI:144552) has role local anaesthetic (CHEBI:36333) |
| (R)-oxybutynin (CHEBI:144552) is a 4-(diethylamino)but-2-yn-1-ol (CHEBI:144551) |
| (R)-oxybutynin (CHEBI:144552) is enantiomer of esoxybutynin (CHEBI:51329) |
| Incoming Relation(s) |
| oxybutynin (CHEBI:7856) has part (R)-oxybutynin (CHEBI:144552) |
| esoxybutynin (CHEBI:51329) is enantiomer of (R)-oxybutynin (CHEBI:144552) |
| IUPAC Name |
|---|
| 4-(diethylamino)but-2-yn-1-yl (2R)-cyclohexyl(hydroxy)phenylacetate |
| Citations |
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