Nebivolol Hydrochloride
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
Molecular Identity
Nebivolol Hydrochloride
(1R)-1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol;hydrochloride
PubChem CID: 24866733
(S,R,R,R)-nebivolol hydrochloride is a hydrochloride obtained by reaction of (S,R,R,R)-nebivolol with one equivalent of hydrochloric acid. It contains a (S,R,R,R)-nebivolol(1+). It is an enantiomer of a (R,S,S,S)-nebivolol hydrochloride.
2D Structure
Properties
C22H26ClF2NO4
Molecular Formula
441.90
Molecular Weight
g/mol
441.1518
Exact Mass
Da
71
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
483
Complexity
SMILES
Canonical SMILES
SMILES: C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O.ClIsomeric SMILES
SMILES: C1CC2=C(C=CC(=C2)F)O[C@H]1[C@@H](CNC[C@H]([C@@H]3CCC4=C(O3)C=CC(=C4)F)O)O.ClSynonyms(20)
Nebivolol hydrochlorideNebivolol HClJGS34J7L9IR067555R-67555BYVALSON COMPONENT NEBIVOLOL HYDROCHLORIDE(1RS,1'RS)-1,1'-((2RS,2'SR)-bis(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl))-2,2'-iminodiethanol hydrochlorideR-067555RefChem:56586CHEBI:132912690-990-6BystolicNebilet213132-06-0Silostar
Data from PubChem (NCBI)
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