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4-hydroxy Nebivolol hydrochloride

CAT: 0013-GTR19232192Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232192Size:500 µg
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Description
4-Hydroxy Nebivolol is the primary active metabolite of the beta-blocker Nebivolol, formed via CYP2D6-mediated hydroxylation. This metabolite is a key tool for in vitro and in vivo pharmacological research, particularly in studies of cardiovascular drug metabolism, adrenergic receptor activity, and individual metabolic variability.
CAS Number
2717115-85-8
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
OC1C=2C (OC (C (CNCC (O) C3OC=4C (CC3) =CC (F) =CC4) O) C1) =CC=C (F) C2.Cl
Molecular Formula
C22H25F2NO5?HCl
Molecular Weight
457.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-Hydroxy nebivolol hydrochloride
CAS Number2717115-85-8
PubChem CID118797371
IUPAC Name6-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
Molecular FormulaC22H26ClF2NO5
Molecular Weight457.9
Topological Polar Surface Area91.2
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity558
SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CC(C4=C(O3)C=CC(=C4)F)O)O)O.Cl
InChI
InChI=1S/C22H25F2NO5.ClH/c23-13-2-5-19-12(7-13)1-4-21(29-19)17(27)10-25-11-18(28)22-9-16(26)15-8-14(24)3-6-20(15)30-22;/h2-3,5-8,16-18,21-22,25-28H,1,4,9-11H2;1H
InChIKey
ZZKGIERYWWBAGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy nebivolol hydrochloride
CAS: 2717115-85-8
CID: 118797371
Formula: C22H26ClF2NO5
MW: 457.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight457.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass457.1467569
Monoisotopic Mass457.1467569
Topological Polar Surface Area91.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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T85245-014-hydroxy Nebivolol hydrochloride
TRC-H330710-50MG8-Hydroxy Nebivolol Hydrochloride
432578-014-Hydroxy Nebivolol Hydrochloride-d4 (Mixture of Diastereomers)
MBS6118783-014-Hydroxy Nebivolol, Hydrochloride Hydrate (Mixture of Diastereomers)
TRC-H948532-25MG4-Hydroxy Nebivolol Hydrochloride-d4(Mixture of Diastereomers)
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217580Nebivolol Hydrochloride (rel- (aR, a’R,2R,2’S) -a, a’-[iminobis (methylene) ]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol] Hydrochloride, b1-Adrenoceptor Antagonist, Nebivolol Hydrochloride, Nebilet, R-65824, Narbivolol)
N0570-50BRac Nebivolol, Hydrochloride ((aR, a’R,2R,2’S) -rel-a, a’-[Iminobis (methylene) ]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol], a, a’- (Iminodimethylene) bis[6-fluoro-2-chromanmethanol] Hydrochloride , Lobivon, Nebilet, Nebilox, R-67555, )
MBS6034133-01rac Nebivolol, Hydrochloride ((aR,a'R,2R,2'S)-rel-a,a'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol], a,a'-(Iminodimethylene)bis[6-fluoro-2-chromanmethanol] Hydrochloride, Lobivon, Nebilet, Nebilox, R-67555,)

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