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Etifoxine Desmethyl impurity

CAT: 1459-CS-O-43294Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-43294Size:1 Each
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Description
Etifoxine Desmethyl impurity is listed under Metabolite and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Etifoxine. The product is supplied by Clearsynth under CAT No. CS-O-43294. 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
16758-87-5
Synonyms
Etifoxine Desmethyl impurity
Molecular Formula
C 16 H 15 ClN 2 O
Molecular Weight
286.76
Additionnal Information
Etifoxine Desmethyl impurity is supplied with detailed characterization data compliant with regulatory guideline. Etifoxine Desmethyl impurity 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 Etifoxine.
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

Etifoxine Desmethyl impurity
CAS Number16758-87-5
PubChem CID143545057
IUPAC Name6-chloro-N-ethyl-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-imine
Molecular FormulaC16H15ClN2O
Molecular Weight286.75
XLogP3.9
Topological Polar Surface Area33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity354
SMILES
CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)C3=CC=CC=C3
InChI
InChI=1S/C16H15ClN2O/c1-2-18-16-19-14-9-8-12(17)10-13(14)15(20-16)11-6-4-3-5-7-11/h3-10,15H,2H2,1H3,(H,18,19)
InChIKey
UBTQURXIKQMINI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etifoxine Desmethyl impurity
CAS: 16758-87-5
CID: 143545057
Formula: C16H15ClN2O
MW: 286.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight286.75
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass286.0872908
Monoisotopic Mass286.0872908
Topological Polar Surface Area33.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity354
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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