Bisoprolol

The Bisoprolol, with the CAS registry number 66722-44-9, is also known as 1-{4-[(2-Isopropoxyethoxy)methyl]phenoxy}-3-(isopropylamino)-2-propanol. It belongs to the product categories of Intermediates & Fine Chemicals; Isotope Labeled Compounds; Pharmaceuticals; Isotope Labelled Compounds; API. This chemical's molecular formula is C₁₈H₃₁NO₄ and molecular weight is 325.44. What's more, its IUPAC name is called 1-(Propan-2-ylamino)-3-[4-(2-propan-2-yloxyethoxymethyl)phenoxy]propan-2-ol. It should be stored in a cool, dry and well-ventilated place. Bisoprolol is a drug belonging to the group of beta blockers, a class of drugs used primarily in cardiovascular diseases.

Physical properties about Bisoprolol are: (1)ACD/LogP: 1.888; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.16; (4) ACD/LogD (pH 7.4): -0.20; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 2.07; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 59.95 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 92.673 cm³; (15)Molar Volume: 314.99 cm³; (16)Polarizability: 36.738×10^-24cm³; (17)Surface Tension: 36.603 dyne/cm; (18)Density: 1.033 g/cm³; (19)Flash Point: 222.944 °C; (20)Enthalpy of Vaporization: 74.083 kJ/mol; (21)Boiling Point: 445.026 °C at 760 mmHg ; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Bisoprolol: this chemical can be prepared by 4-[(2-isopropoxy ethoxy) methyl]phenol with epoxy chloropropane, isopropylamine.

When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. And it is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)COCCOC(C)C)CC(O)CNC(C)C
(2) InChI: InChI=1S/C18H31NO4/c1-14(2)19-11-17(20)13-23-18-7-5-16(6-8-18)12-21-9-10-22-15(3)4/h5-8,14-15,17,19-20H,9-13H2,1-4H3
(3) InChIKey: VHYCDWMUTMEGQY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
man	TDLo	oral	143ug/kg (.143mg/kg)	CARDIAC: CHANGE IN RATE	Human & Experimental Toxicology. Vol. 9, Pg. 255, 1990.