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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 7-DEMETHYL IVABRADINE

SMILES

COC1=C(O)C=C2CCN(CCCN(C)C[C@H]3CC4=CC(OC)=C(OC)C=C34)C(=O)CC2=C1

InChI

InChIKey=QBMUBWFMPCQUGQ-HXUWFJFHSA-N
InChI=1S/C26H34N2O5/c1-27(16-20-10-19-13-24(32-3)25(33-4)15-21(19)20)7-5-8-28-9-6-17-11-22(29)23(31-2)12-18(17)14-26(28)30/h11-13,15,20,29H,5-10,14,16H2,1-4H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H34N2O5
Molecular Weight 454.5586
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:33:55 GMT 2023
Edited
by admin
on Sat Dec 16 18:33:55 GMT 2023
Record UNII
4LV42424FF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-DEMETHYL IVABRADINE
Common Name English
IVABRADINE HYDROCHLORIDE IMPURITY V
Common Name English
3-(3-(((7S)-3,4-DIMETHOXY-7-BICYCLO(4.2.0)OCTA-1,3,5-TRIENYL)METHYL-METHYLAMINO)PROPYL)-8-HYDROXY-7-METHOXY-2,5-DIHYDRO-1H-3-BENZAZEPIN-4-ONE
Systematic Name English
O-DESMETHYL IVABRADINE
Common Name English
7-O-DESMETHYL IVABRADINE
Common Name English
Code System Code Type Description
PUBCHEM
71315776
Created by admin on Sat Dec 16 18:33:55 GMT 2023 , Edited by admin on Sat Dec 16 18:33:55 GMT 2023
PRIMARY PUBCHEM
EPA CompTox
DTXSID20747566
Created by admin on Sat Dec 16 18:33:55 GMT 2023 , Edited by admin on Sat Dec 16 18:33:55 GMT 2023
PRIMARY
CAS
304462-60-0
Created by admin on Sat Dec 16 18:33:55 GMT 2023 , Edited by admin on Sat Dec 16 18:33:55 GMT 2023
PRIMARY
FDA UNII
4LV42424FF
Created by admin on Sat Dec 16 18:33:55 GMT 2023 , Edited by admin on Sat Dec 16 18:33:55 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY