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Cis-Bilastine N-Oxide

CAT: 1459-CS-O-41039Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-41039Size:1 Each
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Description
Cis-Bilastine N-Oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Bilastine. The product is supplied by Clearsynth under CAT No. CS-O-41039. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
1934257-94-9
Synonyms
Cis-Bilastine N-Oxide
Molecular Formula
C 28 H 37 N 3 O 4
Molecular Weight
479.61
Additionnal Information
Cis-Bilastine N-Oxide is supplied with detailed characterization data compliant with regulatory guideline. cis-Bilastine N-Oxide can be used for analytical method development, method validation (AMV), Quality Control (QC) application for Abbreviated New Drug Application (ANDA), or during commercial production of Bilastine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Bilastine N-Oxide
CAS Number1934257-94-9
PubChem CID169434459
IUPAC Name2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]-1-oxidopiperidin-1-ium-1-yl]ethyl]phenyl]-2-methylpropanoic acid
Molecular FormulaC28H37N3O4
Molecular Weight479.6
XLogP4
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity686
SMILES
CCOCCN1C2=CC=CC=C2N=C1C3CC[N+](CC3)(CCC4=CC=C(C=C4)C(C)(C)C(=O)O)[O-]
InChI
InChI=1S/C28H37N3O4/c1-4-35-20-16-30-25-8-6-5-7-24(25)29-26(30)22-14-18-31(34,19-15-22)17-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)
InChIKey
LPYQKYKKNGORIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bilastine N-Oxide
CAS: 1934257-94-9
CID: 169434459
Formula: C28H37N3O4
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass479.27840667
Monoisotopic Mass479.27840667
Topological Polar Surface Area82.4 Ų
Heavy Atom Count35
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-B192031-01Bilastine Impurity F (Trans-Bilastine N-Oxide)
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