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Details

Stereochemistry EPIMERIC
Molecular Formula C27H36N2O6
Molecular Weight 484.5845
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(7,8-Dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)-N-(((S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)-N-methylpropan-1-amine Oxide

SMILES

COC1=C(OC)C=C2[C@@H](C[N+](C)([O-])CCCN3CCC4=CC(OC)=C(OC)C=C4CC3=O)CC2=C1

InChI

InChIKey=GJZRGCOPHQZQGJ-QYWNIODHSA-N
InChI=1S/C27H36N2O6/c1-29(31,17-21-11-20-14-25(34-4)26(35-5)16-22(20)21)10-6-8-28-9-7-18-12-23(32-2)24(33-3)13-19(18)15-27(28)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-,29?/m1/s1

HIDE SMILES / InChI

Molecular Formula C27H36N2O6
Molecular Weight 484.5845
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 1 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 11:35:25 GMT 2025
Edited
by admin
on Wed Apr 02 11:35:25 GMT 2025
Record UNII
ZN8VKE98DH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-OXIDE ANALOG OF IVABRADINE HYDROCHLORIDE
Preferred Name English
3-(7,8-Dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-benzo[d]azepin-3-yl)-N-(((S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl)methyl)-N-methylpropan-1-amine Oxide
Systematic Name English
3-[3-[[[(7S)-3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methyloxidoamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one
Systematic Name English
2H-3-Benzazepin-2-one, 3-[3-[[[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl]methyloxidoamino]propyl]-1,3,4,5-tetrahydro-7,8-dimethoxy-
Systematic Name English
Code System Code Type Description
FDA UNII
ZN8VKE98DH
Created by admin on Wed Apr 02 11:35:25 GMT 2025 , Edited by admin on Wed Apr 02 11:35:25 GMT 2025
PRIMARY
CAS
2511244-97-4
Created by admin on Wed Apr 02 11:35:25 GMT 2025 , Edited by admin on Wed Apr 02 11:35:25 GMT 2025
PRIMARY
PUBCHEM
129011682
Created by admin on Wed Apr 02 11:35:25 GMT 2025 , Edited by admin on Wed Apr 02 11:35:25 GMT 2025
PRIMARY PUBCHEM
Related Record Type Details
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