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(Rac) -Nebivolol

CAT: 0931-T62004-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T62004-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
99200-09-6
Target
Others, NADPH, Adrenergic Receptor
Related Pathways
Neuroscience, Others, GPCR/G Protein, Metabolism
Bioactivity
(Rac) -Nebivolol ((Rac) -R 065824) is a racemic isomer of Nebivolol, a selective β1-adrenergic receptor antagonist (IC50 = 0.8 nM) . Nebivolol exhibits vasodilatory activity and can prevent Nox2/NADPH oxidase up-regulation and lipoperoxidation in early stages of ethanol-induced cardiac toxicity.
Smiles
OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
Molecular Formula
C22H25F2NO4
Molecular Weight
405.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nebivolol

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.

CAS Number99200-09-6
PubChem CID71301
IUPAC Name1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-[[2-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-2-hydroxyethyl]amino]ethanol
Molecular FormulaC22H25F2NO4
Molecular Weight405.4
XLogP3
Topological Polar Surface Area71
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity483
SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O
InChI
InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2
InChIKey
KOHIRBRYDXPAMZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nebivolol
CAS: 99200-09-6
CID: 71301
Formula: C22H25F2NO4
MW: 405.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight405.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass405.17516460
Monoisotopic Mass405.17516460
Topological Polar Surface Area71 Ų
Heavy Atom Count29
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5804695(Rac)-Nebivolol
GTR19187135-01(Rac) -Nebivolol
UYB40755-01Rac-Nebivolol-d4
CS-F-00256Rac-Nebivolol-D6
HY-B0203BS1(rac) -Nebivolol-d4
TRC-N387900-10MGrac Nebivolol Hydrochloride
MBS6103072-01rac Nebivolol-d8
RM-N022325-01Nebivolol Stereoisomer Mixture (USP) ; rac-Nebivolol HCl
HY-B0203BS2(Rac) -Nebivolol-d2,15N
018045Rac Nebivolol-d8 discontinued

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