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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

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