Name: 3-[2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethylbenzeneacetic acid-[d6]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-003548

CAS: 1215358-58-9

Molecular Formula: C28H31D6N3O3

Molecular Weight: 469.65

Chemical Structure

3-[2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethylbenzeneacetic acid-[d6]

Description	3-[2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethylbenzeneacetic acid-[d6] is the labelled impurity of Bilastine, which is a novel, nonsedating H1-antihistamine developed for symptomatic treatment of allergic rhinitis and chronic idiopathic urticaria.
Synonyms	3-[2-[4-[1-(2-Ethoxyethyl)-1H-benzimidazol-2-yl]-1-piperidinyl]ethyl]-α,α-dimethylbenzeneacetic acid-d6; 2-(3-(2-(4-(1-(2-Ethoxyethyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)ethyl)phenyl)-2-(methyl-d3)propanoic-3,3,3-d3 acid
IUPAC Name	3,3,3-trideuterio-2-[3-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-(trideuteriomethyl)propanoic acid
Related CAS	1215537-40-8 (unlabelled)
Canonical SMILES	[2H]C([2H])([2H])C(C1=CC=CC(=C1)CCN2CCC(CC2)C3=NC4=CC=CC=C4N3CCOCC)(C(=O)O)C([2H])([2H])[2H]
InChI	InChI=1S/C28H37N3O3/c1-4-34-19-18-31-25-11-6-5-10-24(25)29-26(31)22-13-16-30(17-14-22)15-12-21-8-7-9-23(20-21)28(2,3)27(32)33/h5-11,20,22H,4,12-19H2,1-3H3,(H,32,33)/i2D3,3D3
InChI Key	YQBLDZMARIUXJI-XERRXZQWSA-N
Melting Point	>195°C (dec.)
Purity	99% by HPLC; 99.5% atom D
Appearance	Off-white Solid
Storage	Store at 2-8 °C