AG002844

202189-78-4 | Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethyl-

AG002844

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CAS Number	202189-78-4
Catalog Number	AG002844(AGN-PC-0QSPTA)
Chemical Name	Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethyl-
IUPAC Name	2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid
InChI	InChI=1S/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)
InChI Key	ACCMWZWAEFYUGZ-UHFFFAOYSA-N
MDL Number	MFCD09837814
Molecular Formula	C28H37N3O3
Molecular Weight	463.6117
SMILES	CCOCCn1c(nc2c1cccc2)C1CCN(CC1)CCc1ccc(cc1)C(C(=O)O)(C)C
UNII	PA1123N395
Synonyms	bilastine, Bilastine, 202189-78-4, Bilaxten, Ilaxten, UNII-PA1123N395, PA1123N395, 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid, Benzeneacetic acid,4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-a,a-dimethyl-, Bilastine [INN], Bilastinum, Bilatex, 2-(4-(2-(4-(1-(2-ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-methylpropanoic acid, 2-[4-[2-[4-[1-(2-Ethoxyethyl)-1H-benzo[d]imidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic Acid, Bilanoa (TN), Bilastine/Bilastinum, Bilastine (JAN/INN), AC1L4GWL, AC1Q5RS3, DSSTox_CID_31467, DSSTox_RID_97352, DSSTox_GSID_57678, SCHEMBL991810, CHEMBL1742423, DTXSID5057678, CTK4E3581, ACCMWZWAEFYUGZ-UHFFFAOYSA-N, CHEBI:135954, BCP02576, ZINC3822702, Tox21_113905, 3489AH, ABP000785, MFCD09837814, AKOS030241723, ACN-041490, AN-3701, BCP9000412, CS-2832, DB11591, F-96221-BM, SB17508, NCGC00262907-01, 2-[4-(2-{4-[1-(2-ethoxyethyl)-1h-benzimidazol-2-yl]piperidin-1-yl}ethyl)phenyl]-2-methylpropanoic acid, AC-29231, AK546609, HY-14447, SC-52167, RT-011510, B5392, CAS-202189-78-4, FT-0700542, A12661, D09570, 189B784, p-(2-(4-(1-(2-Ethoxyethyl)-2-benzimidazolyl)piperidino)ethyl)-alpha-methylhydratropic acid, 2-[4-(2-{4-[1-(2-ethoxy-ethyl)-1H-benzoimidazol-2-yl]-piperidin-1-yl}-ethyl)-phenyl]-2-methyl-propionic acid, 2-[4-(2-{4-[1-(2-ethoxy-ethyl)-1H-benzoimidazol-2-yl]-piperidin-1-yl}ethyl)-phenyl]-2-methyl-propionic acid, 2-[4-[2-[4-[1-(2-Ethoxyethyl)-1H-benzoimidazole-2-yl]piperidine-1-yl]ethyl]phenyl]-2-methylpropanoic acid, 2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-piperidyl]ethyl]phenyl]-2-methyl-propanoic acid, BENZENEACETIC ACID, 4-(2-(4-(1-(2-ETHOXYETHYL)-1H-BENZIMIDAZOL-2-YL)-1-PIPERIDINYL)ETHYL-ALPHA, ALPHA-DIMETHYL-, Benzeneacetic acid, 4-[2-[4-[1-(2-ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-alpha,alpha-dimethyl-, bellozal, Bilasten, Bitosen, C28H37N3O3, AR-1D6842, CID185460, C28-H37-N3-O3, CS-O-06184, F-96221-BM1, BENZENEACETICACID,4-(2-(4-(1- ETHYL-ALPHA,ALPHA-DIMETHYL-, 2323-13-9,

Complexity	641
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	463.283g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	463.622g/mol
Monoisotopic Mass	463.283g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	67.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number