1,3,4,5-TETRAHYDRO-3-(3-((((7S)-3-HYDROXY-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34N2O5
Molecular Weight	454.5586
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1,3,4,5-TETRAHYDRO-3-(3-((((7S)-3-HYDROXY-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE

Structure Search

SMILES

COC1=C(O)C=C2C[C@H](CN(C)CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)C2=C1

InChI

InChIKey=CKPWHHKAGYLHEU-HXUWFJFHSA-N

InChI=1S/C26H34N2O5/c1-27(16-20-10-19-11-22(29)23(31-2)15-21(19)20)7-5-8-28-9-6-17-12-24(32-3)25(33-4)13-18(17)14-26(28)30/h11-13,15,20,29H,5-10,14,16H2,1-4H3/t20-/m1/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

1,3,4,5-TETRAHYDRO-3-(3-((((7S)-3-HYDROXY-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE

Systematic Name

English

2H-3-BENZAZEPIN-2-ONE, 1,3,4,5-TETRAHYDRO-3-(3-((((7S)-3-HYDROXY-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-7,8-DIMETHOXY-

Systematic Name

English

IVABRADINE HYDROCHLORIDE IMPURITY III

Common Name

English

IVABRADINE IMPURITY 16

Common Name

English

S-33172

Code

English

Code System Code Type Description

CAS

304464-98-0

Created by admin on Sat Dec 16 18:56:02 GMT 2023 , Edited by admin on Sat Dec 16 18:56:02 GMT 2023

PRIMARY

FDA UNII

H8NU2J55GH

Created by admin on Sat Dec 16 18:56:02 GMT 2023 , Edited by admin on Sat Dec 16 18:56:02 GMT 2023

PRIMARY

PUBCHEM

101064342

Created by admin on Sat Dec 16 18:56:02 GMT 2023 , Edited by admin on Sat Dec 16 18:56:02 GMT 2023

PRIMARY

PUBCHEM

EPA CompTox

DTXSID901100391

Created by admin on Sat Dec 16 18:56:02 GMT 2023 , Edited by admin on Sat Dec 16 18:56:02 GMT 2023

PRIMARY

SUBSTANCE RECORD


					H8NU2J55GH

1,3,4,5-TETRAHYDRO-3-(3-((((7S)-3-HYDROXY-4-METHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE