EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
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 |
|---|
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Application: | cardiotonic drug A drug that has a strengthening effect on the heart or that can increase cardiac output. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ivabradine (CHEBI:85966) has role cardiotonic drug (CHEBI:38147) |
| 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 |
| INN | Source |
|---|---|
| ivabradine | KEGG DRUG |
| Synonyms | Source |
|---|---|
| S-16257 | ChemIDplus |
| S 16257 | ChemIDplus |
| S-16257-2 | ChemIDplus |
| S 16257-2 | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| D07165 | KEGG DRUG |
| Ivabradine | Wikipedia |
| 3312 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8366413 | Reaxys |
| CAS:155974-00-8 | KEGG DRUG |
| CAS:155974-00-8 | ChemIDplus |
| Citations |
|---|