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Compound Summary

Ivabradine

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	Dose	Unit	Control(Avg days)	Treatment(Avg days)	Avg/Med Lifespan Change(%)	Control(Max days)	Treatment(Max days)	Max Lifespan Change(%)	Significant	Strain	Gender	PubMed	Avg/Med Lifespan Change tab
Mus musculus	50.000000000000000	mg/kg			6.200000000000000				S	C57BL/6J	MALES	25589054	Active

Experimental Data Visualization

Ivabradine

Statistics Data

Ivabradine

Species	Avg/Med Lifespan Change(%)	Max Lifespan Change(%)	Count Reference	Count Data point
Mus musculus	6.200000000000000		1	1

Statistics Data Visualization

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

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

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

Ivabradine

155974-00-8

Corlentor

Corlanor

S-16257

More...