Compound Summary
Compound Information
Ivabradine
Compound Name: | Ivabradine |
Compound CID: | 132999 |
Synonyms: | Ivabradine 155974-00-8 Corlentor Corlanor S-16257 More... |
Iupac Name: | 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 |
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 |
Canonical Smiles: | CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)CC3CC4=CC(=C(C=C34)OC)OC |
Isomeric Smiles: | CN(CCCN1CCC2=CC(=C(C=C2CC1=O)OC)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC |
Molecular Weight: | 468.6 |
Molecular Formula: | C27H36N2O5 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Ivabradine
Molecular Weight: | 468.6 |
Molecular Formula: | C27H36N2O5 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 10 |
Heavy Atom Count: | 34 |
Complexity: | 663 |
Synonyms
Ivabradine
| Ivabradine | Ivabradine |
|---|---|
Ivabradine |
155974-00-8 |
Corlentor |
Corlanor |
S-16257 |
UNII-3H48L0LPZQ |
S 16257 |
S 16257-2 |
S-16257-2 |
3H48L0LPZQ |
CHEMBL471737 |
CHEBI:85966 |
3-3-(7S)-3,4-dimethoxy-7-bicyclo4.2.0octa-1,3,5-trienylmethyl-methylaminopropyl-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one |
s16257 |
2H-3-Benzazepin-2-one, 3-3-(7S)-3,4-dimethoxybicyclo4.2.0octa-1,3,5-trien-7-ylmethylmethylaminopropyl-1,3,4,5-tetrahydro-7,8-dimethoxy- |
3-{3-{(7S)-3,4-dimethoxybicyclo4.2.0octa-1,3,5-trien-7-ylmethyl}(methyl)aminopropyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one |
Ivabradine USAN:INN:BAN |
7,8-Dimethoxy-3-(3-(((4,5-dimethoxybenzocyclobutan-1-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-2H-benzazepin-2-one |
Ivabradine (USAN/INN) |
SCHEMBL23472 |
(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 |
GTPL2357 |
DTXSID2048240 |
3-{3-(3,4-dimethoxybicyclo4.2.0octa-1,3,5-trien-7-yl)methyl(methyl)aminopropyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2h-3-benzazepin-2-one |
7-(3-((((R)-4,5-dimethoxy-1,2-dihydrocyclobutabenzen-1-yl)methyl)(methyl)amino)propyl)-2,3-dimethoxy-8,9-dihydro-5H-benzo7annulen-6(7H)-one |
BCP21052 |
ZINC3805768 |
BDBM50326992 |
AKOS015896494 |
AC-8848 |
AT22349 |
DB09083 |
NCGC00181343-03 |
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)- |
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 |
V0092 |
D07165 |
AB01566878_01 |
185824-EP2276742A1 |
AR-270/43507923 |
Q425729 |
UNII-C8ADC441ME component ACRHBAYQBXXRTO-OAQYLSRUSA-N |
3-3-({(7S)-3,4-dimethoxybicyclo4.2.0octa-1,3,5-trien-7-ylmethyl}(methyl)amino)propyl-7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one |
3-3-(8S)-3,4-dimethoxy-8-bicyclo4.2.0octa-1,3,5-trienylmethyl-methylaminopropyl-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one |
3-{3-{(7S)-3,4-dimethoxybicyclo4.2.0octa-1,3,5-trien-7-ylmethyl}(methyl)-aminopropyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one |
3-{3-{(7S)-3,4-dimethoxybicyclo4.2.0octa-1,3,5-trien-7-ylmethyl}(methyl)amino-propyl}-7.8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one |
Experimental Data
Ivabradine
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Mus musculus | 50 | mg/kg | 6.2 | S | C57BL/6J | MALES | 25589054 | Active |
Experimental Data Visualization
Ivabradine
Statistics Data
Ivabradine
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Mus musculus | 6.2 | 1 | 1 |
Statistics Data Visualization
Ivabradine
