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Bilastine,Bilastine [INN],p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)

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摘 要:Bilastine,Bilastine [INN],p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)piperidino)ethyl)-alpha-methylhydratropic acid,202189-78-4, 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl],phenyl]-2-methylpropanoic acid,Canonical SMILES: CC
[Synonyms]
Bilastine
Bilastine [INN]
p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)piperidino)ethyl)-alpha-methylhydratropic acid
202189-78-4

[Structure]
Bilastine,Bilastine [INN],p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)

[ Properties Computed from Structure]
Molecular Weight463.61168 [g/mol]
Molecular FormulaC28H37N3O3
XLogP4.4
H-Bond Donor1
H-Bond Acceptor6
Rotatable Bond Count10
Exact Mass463.283492
MonoIsotopic Mass463.283492
Topological Polar Surface Area67.6
Heavy Atom Count34
Formal Charge0
Complexity641
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]
phenyl]-2-methylpropanoic acid
Canonical SMILES: CCOCCN1C2=CC=CC=C2N=C1C3CCN(CC3)CCC4=CC=C(C=C4)C(C)(C)C(=O)O
InChI: InChI=1/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-
30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,
13-20H2,1-3H3,(H,32,33)/f/h32H

 
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