Specification: |
The IUPAC name of Azilsartan is 2-ethoxy-3-[[4-[2-(5-oxo-2H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid. With the CAS registry number 147403-03-0, it is also named as 2-Ethoxy-1-[[2'-(4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylic acid. The product's classification code is treatment of hypertension. Moreover, its molecular formula is C25H20N4O5 and its molecular weight is 456.45.?
The other characteristics of Azilsartan can be summarized as: (1)XLogP3-AA: 4.4; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 7; (4)Rotatable Bond Count: 7; (5)Tautomer Count: 3; (6)Exact Mass: 456.14337; (7)MonoIsotopic Mass: 456.14337; (8)Topological Polar Surface Area: 115; (9)Heavy Atom Count: 34; (10)Complexity: 783; (11)Density: 1.42 cm3.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NC(=O)ON5)C(=O)O
(2)InChI: InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
(3)InChIKey: KGSXMPPBFPAXLY-UHFFFAOYSA-N
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