NEBIVOLOL HYDROCHLORIDE

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Search structure


Trade Names	BYSTOLIC NEBIVOLOL HYDROCHLORIDE
Synonyms	Bystolic Nebivolol hcl Nebivolol hydrochloride R-067555 R067555 RO67555
Status
Molecule Category	Salt-form
UNII	JGS34J7L9I
Parent Compound:	NEBIVOLOL

Structure


InChI Key	JWEXHQAEWHKGCW-UHFFFAOYSA-N
Smiles	Cl.OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
InChI	InChI=1S/C22H25F2NO4.ClH/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;1H

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C22H26ClF2NO4
Molecular Weight	441.9
AlogP	2.36
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	6.0
Polar Surface Area	70.95
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	29.0

Pharmacology

Mechanism of Action	Action	Reference
Beta-1 adrenergic receptor antagonist	ANTAGONIST	DailyMed

Target Conservation


Protein: Beta-2 adrenergic receptor Description: Beta-2 adrenergic receptor Organism : Homo sapiens P07550 ENSG00000169252












Protein: Beta-1 adrenergic receptor Description: Beta-1 adrenergic receptor Organism : Homo sapiens P08588 ENSG00000043591

Cross References

Resources	Reference
ChEMBL	CHEMBL1201731
FDA SRS	JGS34J7L9I
PubChem	24866733
SureChEMBL	SCHEMBL514784

CONTENTS

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025