Molecular Identity
Nebivolol
1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
PubChem CID: 71301
2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] is a member of the class of chromanes that is 2,2'-iminodiethanol in which one hydrogen attached to each hydroxy-bearing carbon is replaced by a 6-fluorochroman-2-yl group. It is a member of chromanes, a diol, a secondary alcohol, an organofluorine compound and a secondary amino compound.
2D Structure
Properties
C22H25F2NO4
Molecular Formula
405.40
Molecular Weight
g/mol
405.1752
Exact Mass
Da
3
XLogP
Drug-like (Lipinski: < 5)
71
TPSA
Good oral absorption (< 140 A²)
3
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)OIsomeric SMILES
SMILES: C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)OSynonyms(20)
NebivololNarbivolol118457-14-0R-65824dl-NebivololDTXSID9040556R65,8241-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-{[2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl]amino}ethan-1-olNebivololumnebibololHypoloc1-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-((2-(6-fluoro-3,4-dihydro-2H-1-benzopyran-2-yl)-2-hydroxyethyl)amino)ethan-1-olHydrochloride, NebivololRefChem:56585alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro)-2H-1-benzopyran-2-methanol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nebivolol
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