U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C27H38N2O6
Molecular Weight 486.6004
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZENEACETIC ACID, 2-(2-((3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)AMINO)ETHYL)-4,5-DIMETHOXY-

SMILES

COC1=C(OC)C=C2[C@@H](CN(C)CCCNCCC3=CC(OC)=C(OC)C=C3CC(O)=O)CC2=C1

InChI

InChIKey=RPBKQHNGUAYMKY-OAQYLSRUSA-N
InChI=1S/C27H38N2O6/c1-29(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(30)31/h12-14,16,21,28H,6-11,15,17H2,1-5H3,(H,30,31)/t21-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BENZENEACETIC ACID, 2-(2-((3-((((7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIEN-7-YL)METHYL)METHYLAMINO)PROPYL)AMINO)ETHYL)-4,5-DIMETHOXY-
Common Name English
IVABRADINE IMPURITY 5
Common Name English
Code System Code Type Description
CAS
1462470-54-7
Created by admin on Sat Dec 16 18:32:35 GMT 2023 , Edited by admin on Sat Dec 16 18:32:35 GMT 2023
PRIMARY
PUBCHEM
71263318
Created by admin on Sat Dec 16 18:32:35 GMT 2023 , Edited by admin on Sat Dec 16 18:32:35 GMT 2023
PRIMARY PUBCHEM
FDA UNII
QYE4AE4479
Created by admin on Sat Dec 16 18:32:35 GMT 2023 , Edited by admin on Sat Dec 16 18:32:35 GMT 2023
PRIMARY