Benzeneacetamide,4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-

The IUPAC name of Atenolol is 2-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide. With the CAS registry number 29122-68-7, it is also named as 1-p-Carbamoylmethylphenoxy-3-isopropylamino-2-propanol. The product's categories are Pharmaceutical; Intermediates & Fine Chemicals; Pharmaceuticals; API's; Adrenoceptor. Besides, it is white to off-white crystalline solid, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₁₄H₂₂N₂O₃ and molecular weight is 266.34.

The other characteristics of this product can be summarized as: (1)EINECS: 249-451-7; (2)ACD/LogP: 0.34; (3)# of Rule of 5 Violations: 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 74.257 cm³; (13)Molar Volume: 236.659 cm³; (14)Surface Tension: 45.019 dyne/cm; (15)Density: 1.125 g/cm³; (16)Flash Point: 261.059 °C; (17)Melting Point: 154 °C; (18)Enthalpy of Vaporization: 81.95 kJ/mol; (19)Boiling Point: 508.049 °C at 760 mmHg; (20)Solubility: H₂O: 0.3 mg/mL; (21)Vapour Pressure: 0 mmHg at 25 °C.

Uses of Atenolol: this chemical is a selective β1 receptor antagonist, which is used primarily in cardiovascular diseases. It is also used for treatment of cardiovascular diseases and conditions such as hypertension, coronary heart disease, arrhythmias, angina (chest pain) and used to treat and reduce the risk of heart complications following myocardial infarction (heart attack). Additionally, it can be used for the treatment of symptoms of Graves Disease. Furthermore, it can be used to produce S(-)-Atenolol.



This reaction needs Rhizopus arrhizus, aq. Phosphate buffer and Butan-1-ol for 6 days. The yield is 75 %.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin and harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing to avoid contact with skin and eyes. Moreover, please do not breathe dust.

People can use the following data to convert to the molecule structure.
(1)SMILES: CC(C)NCC(COc1ccc(cc1)CC(=O)N)O
(2)InChI: InChI=1/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
(3)InChIKey: METKIMKYRPQLGS-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)
(5)Std. InChIKey: METKIMKYRPQLGS-UHFFFAOYSA-N

The toxicity data is as follows: