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Olopatadine N-Oxide

CAT: 1459-CS-O-46420Size: 1 EachDry Ice: NoHazardous: No
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Description
Olopatadine N-Oxide is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Olopatadine. The product is supplied by Clearsynth under CAT No. CS-O-46420. 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
173174-07-7
Synonyms
Olopatadine N-Oxide
Molecular Formula
C 21 H 23 NO 4
Molecular Weight
353.42
Additionnal Information
Olopatadine N-Oxide is supplied with detailed characterization data compliant with regulatory guideline. Olopatadine 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 Olopatadine.
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 accurate information.

Chemical Information

Olopatadine N-oxide

Olopatadine N-oxide is an aryl sulfate.

CAS Number173174-07-7
PubChem CID9950431
IUPAC Name(3Z)-3-[2-(carboxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]-N,N-dimethylpropan-1-amine oxide
Molecular FormulaC21H23NO4
Molecular Weight353.4
XLogP3.2
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity530
SMILES
C[N+](C)(CC/C=C\1/C2=CC=CC=C2COC3=C1C=C(C=C3)CC(=O)O)[O-]
InChI
InChI=1S/C21H23NO4/c1-22(2,25)11-5-8-18-17-7-4-3-6-16(17)14-26-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8-
InChIKey
TXKZPVWYFNGMCP-LSCVHKIXSA-N
Chemical Structure
2D Structure
2D structure of Olopatadine N-oxide
CAS: 173174-07-7
CID: 9950431
Formula: C21H23NO4
MW: 353.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.4
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass353.16270821
Monoisotopic Mass353.16270821
Topological Polar Surface Area64.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity530
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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