EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:34673 - devapamil
| Formula | C26H36N2O3 |
| Net Charge | 0 |
| Average Mass | 424.585 |
| Monoisotopic Mass | 424.27259 |
| SMILES | COc1cccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)c1 |
| InChI | InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3 |
| InChIKey | VMVKIDPOEOLUFS-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Role: | 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: | vasodilator agent A drug used to cause dilation of the blood vessels. anti-arrhythmia drug A drug used for the treatment or prevention of cardiac arrhythmias. Anti-arrhythmia drugs may affect the polarisation-repolarisation phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibres. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| devapamil (CHEBI:34673) has role anti-arrhythmia drug (CHEBI:38070) |
| devapamil (CHEBI:34673) has role calcium channel blocker (CHEBI:38215) |
| devapamil (CHEBI:34673) has role vasodilator agent (CHEBI:35620) |
| devapamil (CHEBI:34673) is a aromatic ether (CHEBI:35618) |
| devapamil (CHEBI:34673) is a nitrile (CHEBI:18379) |
| devapamil (CHEBI:34673) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| 2-(3,4-dimethoxyphenyl)-2-isopropyl-5-{[2-(3-methoxyphenyl)ethyl](methyl)amino}pentanenitrile |
| INNs | Source |
|---|---|
| devapamilum | ChemIDplus |
| devapamil | ChemIDplus |
| devapamilo | ChemIDplus |
| Synonym | Source |
|---|---|
| 2-(3,4-Dimethoxyphenyl)-2-isopropyl-5-((m-methoxyphenethyl)methylamino)valeronitrile | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C13763 | KEGG COMPOUND |
| US6344461 | Patent |
| US2003064085 | Patent |
| Devapamil | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8796407 | Reaxys |
| CAS:92302-55-1 | KEGG COMPOUND |
| CAS:92302-55-1 | ChemIDplus |
| Citations |
|---|