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Nebivolol

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Name

Nebivolol

EINECS N/A
CAS No. 99200-09-6 Density 1.31 g/cm3
PSA 70.95000 LogP 2.75450
Solubility N/A Melting Point N/A
Formula C22H25F2NO4 Boiling Point 600.455 °C at 760 mmHg
Molecular Weight 405.442 Flash Point 316.944 °C
Transport Information N/A Appearance Odour
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 99200-09-6 (Nebivolol) Hazard Symbols N/A
Synonyms

Bystolic;Nebivololum;R 65824;alpha,alpha'-(Iminodimethylene)bis(6-fluoro-2-chromanmethanol);1-(6-Fluorochroman-2-yl)-2-[[2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]amino]ethanol;2H-1-Benzopyran-2-methanol,a,a'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-;2,2'-Azanediylbis(1-(6-fluorochroman-2-yl)ethanol);

Article Data 16

Nebivolol Specification

The Nebivolol, with the CAS registry number 99200-09-6, is also known as 1-(6-Fluorochroman-2-yl)-2-[[2-(6-fluorochroman-2-yl)-2-hydroxy-ethyl]amino]ethanol. It belongs to the product category of Antihypertensive. This chemical's molecular formula is C22H25F2NO4 and molecular weight is 405.43. What's more, its systematic name is 2,2'-Iminobis[1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanol]. Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic Antagonists; (3)Adrenergic beta-antagonists; (4)Antihypertensive [beta-blocker]; (5)Antihypertensive agents; (6)Cardiovascular Agents; (7)Neurotransmitter Agents; (8)Vasodilator agents. Nebivolol is a β1 receptor blocker with nitric oxide-potentiating vasodilatory effect used in treatment of hypertension and for left ventricular failure. It is highly cardioselective under certain circumstances but has less robust evidence of survival benefit than other beta-blockers.

Physical properties of Nebivolol are: (1)ACD/LogP: 4.083; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.23; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 34.99; (7)ACD/KOC (pH 5.5): 5.56; (8)ACD/KOC (pH 7.4): 185.81; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 70.95 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 103.132 cm3; (15)Molar Volume: 309.529 cm3; (16)Polarizability: 40.885×10-24cm3; (17)Surface Tension: 50.50 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 316.944 °C; (20)Enthalpy of Vaporization: 93.983 kJ/mol; (21)Boiling Point: 600.455 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

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

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