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CHEBI:85966 - ivabradine
| Formula | C27H36N2O5 |
| Net Charge | 0 |
| Average Mass | 468.594 |
| Monoisotopic Mass | 468.26242 |
| SMILES | COc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2 |
| InChI | InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1 |
| InChIKey | ACRHBAYQBXXRTO-OAQYLSRUSA-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 Role: | anticoronaviral agent Any antiviral agent which inhibits the activity of coronaviruses. |
| Applications: | cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output. 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. geroprotector Any compound that supports healthy aging, slows the biological aging process, or extends lifespan. vasoconstrictor agent Drug used to cause constriction of the blood vessels. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. hypoglycemic agent A drug which lowers the blood glucose level. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ivabradine (CHEBI:85966) has role anti-arrhythmia drug (CHEBI:38070) |
| ivabradine (CHEBI:85966) has role anticoronaviral agent (CHEBI:149553) |
| ivabradine (CHEBI:85966) has role antineoplastic agent (CHEBI:35610) |
| ivabradine (CHEBI:85966) has role cardiotonic drug (CHEBI:38147) |
| ivabradine (CHEBI:85966) has role cardiovascular drug (CHEBI:35554) |
| ivabradine (CHEBI:85966) has role geroprotector (CHEBI:176497) |
| ivabradine (CHEBI:85966) has role hypoglycemic agent (CHEBI:35526) |
| ivabradine (CHEBI:85966) has role vasoconstrictor agent (CHEBI:50514) |
| ivabradine (CHEBI:85966) is a aromatic ether (CHEBI:35618) |
| ivabradine (CHEBI:85966) is a benzazepine (CHEBI:35676) |
| ivabradine (CHEBI:85966) is a carbobicyclic compound (CHEBI:36785) |
| ivabradine (CHEBI:85966) is a tertiary amino compound (CHEBI:50996) |
| ivabradine (CHEBI:85966) is conjugate base of ivabradine(1+) (CHEBI:85972) |
| Incoming Relation(s) |
| ivabradine(1+) (CHEBI:85972) is conjugate acid of ivabradine (CHEBI:85966) |
| IUPAC Name |
|---|
| 3-{3-[{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one |
| INNs | Source |
|---|---|
| ivabradina | WHO MedNet |
| ivabradine | KEGG DRUG |
| Synonyms | Source |
|---|---|
| S 16257 | ChemIDplus |
| S-16257 | ChemIDplus |
| S 16257-2 | ChemIDplus |
| S-16257-2 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 3312 | DrugCentral |
| D07165 | KEGG DRUG |
| Ivabradine | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8366413 | Reaxys |
| CAS:155974-00-8 | ChemIDplus |
| CAS:155974-00-8 | KEGG DRUG |
| Citations |
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