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Varenicline Impurity 17

CAT: 1459-CS-O-16039Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-O-16039Size:1 Each
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Description
Varenicline Impurity 17 is listed under Impurity and is intended for analytical research, quality control and pharmaceutical reference standard applications. It is associated with Varenicline. The product is supplied by Clearsynth under CAT No. CS-O-16039. 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
853946-18-6
Synonyms
Varenicline Impurity 17
Molecular Formula
C 13 H 10 F 3 N 3 O 5
Molecular Weight
345.2
Additionnal Information
Varenicline Impurity 17 is supplied with detailed characterization data compliant with regulatory guideline. Varenicline Impurity 17 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 Varenicline.
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

2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-6,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl) ethanone
CAS Number853946-18-6
PubChem CID24826921
IUPAC Name1-(3,5-dinitro-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoroethanone
Molecular FormulaC13H10F3N3O5
Molecular Weight345.23
XLogP2.2
Topological Polar Surface Area112
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity573
SMILES
C1C2CN(CC1C3=C2C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])C(=O)C(F)(F)F
InChI
InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)11-9(6)2-8(18(21)22)3-10(11)19(23)24/h2-3,6-7H,1,4-5H2
InChIKey
IWIOYWHMULYHRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-6,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl) ethanone
CAS: 853946-18-6
CID: 24826921
Formula: C13H10F3N3O5
MW: 345.23
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.23
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass345.05725491
Monoisotopic Mass345.05725491
Topological Polar Surface Area112 Ų
Heavy Atom Count24
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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