Name: NEBIVOLOL HCL
SKU: 169293-50-9

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Basic Information

Molecular Structure:
CAS No.:	169293-50-9
Name:	NEBIVOLOL HCL
Article Data:	3

Formula:	C₂₂H₂₅F₂NO₄·HCl
Molecular Weight:	441.903
Synonyms:	2,2'-Iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] hydrochloride;alpha,alpha'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol hydrochloride;2H-1-benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, hydrochloride;
EINECS:	200-258-5
Melting Point:	220-222 °C
Boiling Point:	600.5 °C at 760 mmHg
Flash Point:	316.9 °C
Appearance:	White to off-white powder
PSA:	70.95000
LogP:	3.55650

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History

History of Nebivolol (169293-50-9):
Mylan Laboratories licensed the U.S. and Canadian rights to nebivolol from Janssen Pharmaceutica N.V. in 2001. Nebivolol is already registered and successfully marketed in more than 50 other countries, including the US. It is marketed under the brand name Nebilet. Nebivolol is manufactured by Forest Laboratories, Inc. In India, Nebivolol is available as Nebilong 5 mg (Micro Labs) Nebicard-5 (Torrent), Nubeta (Nicholas Piramal) and Nodon (Cadila Pharmaceuticals). In Greece and Italy, Nebivolol is marketed under the name Lobivon from Menarini pharmaceutical.in middle east is marketed under the name 'symbian from 4a pharma , In the US, it is marketed under the brand name Bystolic from Mylan Laboratories and Forest Laboratories.

Specification

The 2H-1-Benzopyran-2-methanol,a,a'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-,hydrochloride (1:1), with the CAS registry number 169293-50-9, is also known as alpha,alpha'-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol hydrochloride. It belongs to the product categories of Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₂₂H₂₅F₂NO₄·HCl and molecular weight is 441.90. What's more, its systematic name is 2,2'-iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol] hydrochloride. It is a β1 receptor blocker with nitric oxide-potentiating vasodilatory effect used in treatment of hypertension and left ventricular failure. It is highly cardioselective under certain circumstances.

Physical properties of 2H-1-Benzopyran-2-methanol,a,a'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-,hydrochloride (1:1) are: (1)ACD/LogP: 3.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 17; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 111; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 40.16 Å²; (13)Flash Point: 316.9 °C; (14)Enthalpy of Vaporization: 93.98 kJ/mol; (15)Boiling Point: 600.5 °C at 760 mmHg; (16)Vapour Pressure: 2.88E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Fc4cc1c(OC(CC1)C(O)CNCC(O)C3Oc2ccc(F)cc2CC3)cc4
(2)Std. 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
(3)Std. InChIKey: JWEXHQAEWHKGCW-UHFFFAOYSA-N