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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 8-DEMETHYL IVABRADINE

SMILES

COC1=C(O)C=C2CC(=O)N(CCCN(C)C[C@H]3CC4=CC(OC)=C(OC)C=C34)CCC2=C1

InChI

InChIKey=BMPIAMMIUINAOW-HXUWFJFHSA-N
InChI=1S/C26H34N2O5/c1-27(16-20-10-19-13-24(32-3)25(33-4)15-21(19)20)7-5-8-28-9-6-17-12-23(31-2)22(29)11-18(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
8-DEMETHYL IVABRADINE
Common Name English
IVABRADINE HYDROCHLORIDE IMPURITY VI
Common Name English
8-O-DESMETHYL IVABRADINE
Common Name English
S-33174
Code English
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-8-HYDROXY-7-METHOXY-
Systematic Name English
3-(3-(((7S)-3,4-DIMETHOXY-7-BICYCLO(4.2.0)OCTA-1,3,5-TRIENYL)METHYL-METHYLAMINO)PROPYL)-7-HYDROXY-8-METHOXY-2,5-DIHYDRO-1H-3-BENZAZEPIN-4-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
71315777
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY PUBCHEM
CAS
304464-97-9
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY
FDA UNII
2R563KE5HR
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY
EPA CompTox
DTXSID80747567
Created by admin on Sat Dec 16 18:28:23 GMT 2023 , Edited by admin on Sat Dec 16 18:28:23 GMT 2023
PRIMARY