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Meclizine N-Oxide

CAT: 1459-CS-O-06096Size: 1 EachDry Ice: NoHazardous: No
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Description
Meclizine N-Oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Meclizine. The product is supplied by Clearsynth under CAT No. CS-O-06096. Clearsynth provides this compound for research and analytical use, with product information including CAS number, molecular formula, molecular weight and product enquiry details.
Overview
A metabolite of Meclizine
CAS Number
114624-69-0
Synonyms
Meclizine N-Oxide
Molecular Formula
C 25 H 27 ClN 2 O
Molecular Weight
407
Additionnal Information
Meclizine N-Oxide is supplied with detailed characterization data compliant with regulatory guideline. Meclizine 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 Meclizine.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
A metabolite of Meclizine
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Meclizine N'-Oxide
CAS Number114624-69-0
PubChem CID54105930
IUPAC Name4-[(4-chlorophenyl)-phenylmethyl]-1-[(3-methylphenyl)methyl]-1-oxidopiperazin-1-ium
Molecular FormulaC25H27ClN2O
Molecular Weight406.9
XLogP5.2
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity493
SMILES
CC1=CC(=CC=C1)C[N+]2(CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl)[O-]
InChI
InChI=1S/C25H27ClN2O/c1-20-6-5-7-21(18-20)19-28(29)16-14-27(15-17-28)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
InChIKey
NDTIJUDMDNMOFC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Meclizine N'-Oxide
CAS: 114624-69-0
CID: 54105930
Formula: C25H27ClN2O
MW: 406.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.9
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass406.1811912
Monoisotopic Mass406.1811912
Topological Polar Surface Area21.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity493
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T84933-01Meclizine N-oxide
TRC-M202710-5MGMeclizine N’-Oxide
281962-01Meclizine N''-oxide
sc-396366Meclizine N′-Oxide
AR-M01152-01Meclizine N-Oxide (N4-oxide)
sc-495660Meclizine-d8 N′-oxide
WZB81610-01Meclizine-d8 N’-oxide
AR-M01153-01Meclizine N-Oxide (N1-Oxide) HCl
AR-M01154-01Meclizine N-Oxide (N, N'-dioxide)
AR-M03969-01Meclizine N4-Oxide HCl

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