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2D Structure
Also known as: 169293-50-9, Nebivolol hcl, 2,2'-azanediylbis(1-(6-fluorochroman-2-yl)ethanol) hydrochloride, 152520-56-4, Rac nebivolol hydrochloride, R 065824 hydrochloride
Molecular Formula
C22H26ClF2NO4
Molecular Weight
441.9  g/mol
InChI Key
JWEXHQAEWHKGCW-UHFFFAOYSA-N

A cardioselective ADRENERGIC BETA-1 RECEPTOR ANTAGONIST (beta-blocker) that functions as a VASODILATOR through the endothelial L-arginine/ NITRIC OXIDE system. It is used to manage HYPERTENSION and chronic HEART FAILURE in elderly patients.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
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;hydrochloride
2.1.2 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
2.1.3 InChI Key
JWEXHQAEWHKGCW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O.Cl
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 67555, R

2. Alpha,alpha'-(iminobis(methylene))bis(6-fluoro-3,4-dihydro)-2h-1-benzopyran-2-methanol

3. Bystolic

4. Hydrochloride, Nebivolol

5. Lobivon

6. Nebilet

7. Nebivolol

8. R 67555

9. R-67555

10. R67555

11. Silostar

2.2.2 Depositor-Supplied Synonyms

1. 169293-50-9

2. Nebivolol Hcl

3. 2,2'-azanediylbis(1-(6-fluorochroman-2-yl)ethanol) Hydrochloride

4. 152520-56-4

5. Rac Nebivolol Hydrochloride

6. R 065824 Hydrochloride

7. Nebilox

8. Rac-nebivolol Hcl

9. R-067555

10. Schembl514784

11. N-phenyliminodiaceticacid

12. Chembl1201731

13. Akos016006035

14. Ac-4233

15. Ac-5636

16. Ccg-214847

17. Ro67555

18. As-12100

19. Cs-0362720

20. Ft-0652243

21. Ft-0655833

22. 520n564

23. W-60374

24. J-010524

25. 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;hydrochloride

26. 2h-1-benzopyran-2-methanol,a,a'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-,hydrochloride(1:1)

27. Alpha,alpha'[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2h-1-benzopyran-2-methanol]hydrochloride

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 441.9 g/mol
Molecular Formula C22H26ClF2NO4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass441.1518423 g/mol
Monoisotopic Mass441.1518423 g/mol
Topological Polar Surface Area71 Ų
Heavy Atom Count30
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 Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Adrenergic beta-1 Receptor Agonists

Compounds that bind to and activate ADRENERGIC BETA-1 RECEPTORS. (See all compounds classified as Adrenergic beta-1 Receptor Agonists.)


Antihypertensive Agents

Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)


Vasodilator Agents

Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)


4.2 FDA Pharmacological Classification
4.2.1 Pharmacological Classes
beta-Adrenergic Blocker [EPC]; Adrenergic beta-Antagonists [MoA]