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Chemical structure of Ivabradine metabolite N-Demethyl Ivabradine hydrochloride

GC33578

Ivabradine metabolite N-Demethyl Ivabradine hydrochloride

Also known as 3-[3-[[(7S)-3,4-dimethoxy-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one;hydrochloride

N-Demethyl Ivabradine Hcl is a metabolite of Ivabradine, which is a specific inhibitor of the funny channel

ChemicalCAS1246638-08-3MW491.02FormulaC26H35ClN2O5
CAS number
1246638-08-3
Molecular weight
491.02
Formula
C26H35ClN2O5
Solubility
DMF： 25 mg/ml,DMSO： 20 mg/ml,Ethanol： 1 mg/ml,PBS (pH 7·2)： 10 mg/ml
InChIKey
MIIIKWNQFDQJGS-VEIFNGETSA-N
Catalogue number
GC33578
Brand
GLPBIO
Computed properties PubChem CID 66672699 · TPSA 69.3 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
69.3 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
34

SMILES COC1=C(C=C2CC(=O)N(CCC2=C1)CCCNC[C@H]3CC4=CC(=C(C=C34)OC)OC)OC.Cl

Computed descriptors from PubChem (CID 66672699), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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