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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: | cholinergic antagonist Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. 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. |
| 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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