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Chemical structure of YM-244769 dihydrochloride

GC65078

YM-244769 dihydrochloride

Also known as N-[(3-aminophenyl)methyl]-6-[4-[(3-fluorophenyl)methoxy]phenoxy]pyridine-3-carboxamide;dihydrochloride

YM-244769 dihydrochloride is a potent, selective and orally active Na+/Ca2+ exchanger (NCX) inhibitor

ChemicalCAS1780390-65-9MW516.39FormulaC26H24Cl2FN3O3
CAS number
1780390-65-9
Molecular weight
516.39
Formula
C26H24Cl2FN3O3
Solubility
DMSO ： 100 mg/mL (193·65 mM; Need ultrasonic)
InChIKey
OCKIUNLKEPKCRE-UHFFFAOYSA-N
Catalogue number
GC65078
Brand
GLPBIO
Computed properties PubChem CID 90488952 · TPSA 86.5 Ų · H-bond donors 4 · H-bond acceptors 6
TPSA
86.5 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
35

SMILES C1=CC(=CC(=C1)N)CNC(=O)C2=CN=C(C=C2)OC3=CC=C(C=C3)OCC4=CC(=CC=C4)F.Cl.Cl

Computed descriptors from PubChem (CID 90488952), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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