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CAS No.: | 99200-09-6 |
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Name: | Nebivolol |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C22H25F2NO4 |
Molecular Weight: | 405.442 |
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); |
Density: | 1.31 g/cm3 |
Boiling Point: | 600.455 °C at 760 mmHg |
Flash Point: | 316.944 °C |
Appearance: | Odour |
PSA: | 70.95000 |
LogP: | 2.75450 |
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