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N-Nitroso Varenicline

CAT: 1459-CS-O-36107Size: 1 EachDry Ice: NoHazardous: No
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Description
N-Nitroso Varenicline is listed under Nitrosamine 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-36107. 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
2755871-02-2
Synonyms
N-Nitroso Varenicline
Molecular Formula
C 13 H 12 N 4 O
Molecular Weight
240.26
Additionnal Information
N-Nitroso Varenicline is supplied with detailed characterization data compliant with regulatory guideline. N-Nitroso Varenicline 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 accurate information.

Chemical Information

N-Nitroso Varenicline
CAS Number2755871-02-2
PubChem CID163880833
IUPAC Name14-nitroso-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Molecular FormulaC13H12N4O
Molecular Weight240.26
XLogP1.2
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
C1C2CN(CC1C3=CC4=NC=CN=C4C=C23)N=O
InChI
InChI=1S/C13H12N4O/c18-16-17-6-8-3-9(7-17)11-5-13-12(4-10(8)11)14-1-2-15-13/h1-2,4-5,8-9H,3,6-7H2
InChIKey
PTBAEGOZXFWTJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Nitroso Varenicline
CAS: 2755871-02-2
CID: 163880833
Formula: C13H12N4O
MW: 240.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.26
XLogP31.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass240.10111102
Monoisotopic Mass240.10111102
Topological Polar Surface Area58.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
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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