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

SMILES

COC1=CC2=C(C=C1OC)[C@@H](CN(C)CCCN3CC(O)C4=C(CC3=O)C=C(OC)C(OC)=C4)C2

InChI

InChIKey=YLBOJMVSCNKNGB-LCQOSCCDSA-N
InChI=1S/C27H36N2O6/c1-28(15-19-9-17-10-23(32-2)25(34-4)13-20(17)19)7-6-8-29-16-22(30)21-14-26(35-5)24(33-3)11-18(21)12-27(29)31/h10-11,13-14,19,22,30H,6-9,12,15-16H2,1-5H3/t19-,22?/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 11:42:32 GMT 2025
Edited
by admin
on Wed Apr 02 11:42:32 GMT 2025
Record UNII
BL6MT5CPG3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-3-BENZAZEPIN-2-ONE, 3-(3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)-1,3,4,5-TETRAHYDRO-5-HYDROXY-7,8-DIMETHOXY-
Systematic Name English
IVABRADINE IMPURITY 14
Preferred Name English
Code System Code Type Description
FDA UNII
BL6MT5CPG3
Created by admin on Wed Apr 02 11:42:32 GMT 2025 , Edited by admin on Wed Apr 02 11:42:32 GMT 2025
PRIMARY
PUBCHEM
129011679
Created by admin on Wed Apr 02 11:42:32 GMT 2025 , Edited by admin on Wed Apr 02 11:42:32 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY