Compound: Ivabradine
SMILES: O=C1N(CCc2c(C1)cc(OC)c(c2)OC)CCCN(C[C@@H]3c4c(cc(OC)c(c4)OC)C3)C
InChIKey: ACRHBAYQBXXRTO-OAQYLSRUSA-N
Synonyms: Ivabradine, 155974-00-8, S-16257, Ivabradina, S 16257, 3H48L0LPZQ, DTXSID2048240, 3-[3-({[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino)propyl]-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one, CHEBI:85966, s16257, (S)-3-(3-(((3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one, 2H-3-Benzazepin-2-one, 3-(3-(((3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, (S)-, 2H-3-Benzazepin-2-one, 3-(3-((((7S)-3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-, Ivabradinum, 2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methylamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-, 3-(3-((((7S)-3,4-dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)(methyl)amino)propyl)-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one, 3-(3-(((8S)-3,4-dimethoxy-8-bicyclo(4.2.0)octa-1,3,5-trienyl)methyl-methylamino)propyl)-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one, 3-[3-[[(8S)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one, RefChem:56735, S162572, S162602, S 162572, S 162602, S 16257 2, S 16260 2, DTXCID3028215, C01EB17, S 16257-2, CHEMBL471737, 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one, Ivabradine [INN], 3-(3-((((7S)-3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one, 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, 7,8-Dimethoxy-3-(3-(((4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one, UNII-3H48L0LPZQ, Ivabradine [USAN:INN:BAN], ACRHBAYQBXXRTO-OAQYLSRUSA-N, VNZ, IVABRADINE [MI], Ivabradine (USAN/INN), IVABRADINE [USAN], IVABRADINE [MART.], IVABRADINE [WHO-DD], SCHEMBL23472, IVABRADINE [EMA EPAR], GTPL2357, orb1687028, IVABRADINE [ORANGE BOOK], SCHEMBL29387763, SCHEMBL29687794, ALBB-038655, HY-B0162, BDBM50326992, EBC-27172, AKOS015896494, AC-8848, AT22349, DB09083, NCGC00181343-03, CS-0012360, NS00001500, D07165, AB01566878_01, AR-270/43507923, EN300-20600170, Q425729, 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, 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
Theoretical properties:
molecular_formula: C27H36N2O5
molecular_weight: 468.6 g/mol
exact_mass: 468.26242225 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 10
heavy_atom_count: 34
topological_polar_surface_area: 60.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Ivabradine is a member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure. It has a role as a cardiotonic drug. It is an aromatic ether, a benzazepine, a carbobicyclic compound and a tertiary amino compound. It is a conjugate base of an ivabradine(1+).
chebi: A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7<i>S</i>)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure.
chembl: IVABRADINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Ivabradine, sold under the brand name Procoralan among others, is a medication, which is a pacemaker current (If) inhibitor, used for the symptomatic management of heart-related chest pain and heart failure. Patients who qualify for use of ivabradine for congestive heart failure are patients who have symptomatic heart failure, with reduced ejection fraction, and heart rate at least 70 bpm, and the condition not able to be fully managed by beta blockers.
Ivabradine acts by inducing negative chronotropy in the sinoatrial structure, thus reducing the heart rate via specific inhibition of the pacemaker current. It operates by a mechanism different from that of beta blockers and calcium channel blockers, which are two commonly prescribed antianginal classes of cardiac drugs. Ivabradine has no apparent inotropic properties and may be a cardiotonic agent.