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Chemical structure of 8-Demethyl Ivabradine

GC60541

8-Demethyl Ivabradine

Also known as 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

8-Demethyl Ivabradine is a metabolite of Ivabradine

ChemicalCAS304464-97-9MW454.56FormulaC26H34N2O5
CAS number
304464-97-9
Molecular weight
454.56
Formula
C26H34N2O5
InChIKey
BMPIAMMIUINAOW-HXUWFJFHSA-N
Catalogue number
GC60541
Brand
GLPBIO
Computed properties PubChem CID 71315777 · XLogP 2.1 · TPSA 71.5 Ų · H-bond donors 1
XLogP
2.1
TPSA
71.5 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
33

SMILES CN(CCCN1CCC2=CC(=C(C=C2CC1=O)O)OC)C[C@H]3CC4=CC(=C(C=C34)OC)OC

Computed descriptors from PubChem (CID 71315777), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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