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CHEBI:73358 - U50488
| Formula | C19H26Cl2N2O |
| Net Charge | 0 |
| Average Mass | 369.336 |
| Monoisotopic Mass | 368.14222 |
| SMILES | CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N1CCCC1 |
| InChI | InChI=1S/C19H26Cl2N2O/c1-22(19(24)13-14-8-9-15(20)16(21)12-14)17-6-2-3-7-18(17)23-10-4-5-11-23/h8-9,12,17-18H,2-7,10-11,13H2,1H3/t17-,18-/m1/s1 |
| InChIKey | VQLPLYSROCPWFF-QZTJIDSGSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. 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. kappa-opioid receptor agonist A compound that exhibits agonist activity at the κ-opioid receptor. |
| Applications: | diuretic An agent that promotes the excretion of urine through its effects on kidney function. analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antitussive An agent that suppresses cough. Antitussives have a central or a peripheral action on the cough reflex, or a combination of both. Compare with expectorants, which are considered to increase the volume of secretions in the respiratory tract, so facilitating their removal by ciliary action and coughing, and mucolytics, which decrease the viscosity of mucus, facilitating its removal by ciliary action and expectoration. kappa-opioid receptor agonist A compound that exhibits agonist activity at the κ-opioid receptor. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| U50488 (CHEBI:73358) has role analgesic (CHEBI:35480) |
| U50488 (CHEBI:73358) has role antitussive (CHEBI:51177) |
| U50488 (CHEBI:73358) has role calcium channel blocker (CHEBI:38215) |
| U50488 (CHEBI:73358) has role diuretic (CHEBI:35498) |
| U50488 (CHEBI:73358) has role κ-opioid receptor agonist (CHEBI:59282) |
| U50488 (CHEBI:73358) is a N-alkylpyrrolidine (CHEBI:46775) |
| U50488 (CHEBI:73358) is a dichlorobenzene (CHEBI:23697) |
| U50488 (CHEBI:73358) is a monocarboxylic acid amide (CHEBI:29347) |
| IUPAC Name |
|---|
| 2-(3,4-dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]acetamide |
| Synonyms | Source |
|---|---|
| trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide | KEGG COMPOUND |
| U 50,488 | ChemIDplus |
| U 50488 | ChemIDplus |
| U-50488 | ChemIDplus |
| U50,488 | ChemIDplus |
| U-50,488 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C11796 | KEGG COMPOUND |
| WO2008066916 | Patent |
| U-50488 | Wikipedia |
| NZ535654 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4845074 | Reaxys |
| CAS:67198-13-4 | KEGG COMPOUND |
| CAS:67198-13-4 | ChemIDplus |
| Citations |
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