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Chemical structure of 4-hydroxy Nebivolol (hydrochloride)

GC42409

4-hydroxy Nebivolol (hydrochloride)

Also known as 6-fluoro-2-[2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]-1-hydroxyethyl]-3,4-dihydro-2H-chromen-4-ol;hydrochloride

4-hydroxy Nebivolol is a major metabolite of nebivolol

ChemicalCAS2717115-85-8MW457.9FormulaC22H25F2NO5•HCl
CAS number
2717115-85-8
Molecular weight
457.9
Formula
C22H25F2NO5•HCl
Solubility
Soluble in DMSO
InChIKey
ZZKGIERYWWBAGK-UHFFFAOYSA-N
Catalogue number
GC42409
Brand
GLPBIO
Computed properties PubChem CID 118797371 · TPSA 91.2 Ų · H-bond donors 5 · H-bond acceptors 8
TPSA
91.2 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
31

SMILES C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CC(C4=C(O3)C=CC(=C4)F)O)O)O.Cl

Computed descriptors from PubChem (CID 118797371), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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