N-Nitroso Varenicline

CAT: 1596-AR-V06426-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-V06426-01Size:10 Units

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CAS Number

2755871-02-2

Synonyms

8-nitroso-7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline

Molecular Formula

C13H12N4O

Molecular Weight

240.27

API Name

Varenicline

Chemical Information

N-Nitroso Varenicline

CAS Number	2755871-02-2
PubChem CID	163880833
IUPAC Name	14-nitroso-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Molecular Formula	C13H12N4O
Molecular Weight	240.26
XLogP	1.2
Topological Polar Surface Area	58.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	322

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

CAS: 2755871-02-2

CID: 163880833

Formula: C13H12N4O

MW: 240.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.26
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	240.10111102
Monoisotopic Mass	240.10111102
Topological Polar Surface Area	58.5 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	322
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-V01209-01	N-Formyl Varenicline
AR-V06422-01	Varenicline N, N-Dioxide
AR-V01228-01	N-Methyl Varenicline
AR-V01214-01	Varenicline N-Hydroxy
AR-V01227-01	N-Acetyl Varenicline
AR-V01213-01	Varenicline N-glucoside
AR-V01208-01	Varenicline
AR-K01829-01	N-Nitroso Rabusertib (N-Nitroso LY2603618)
AR-F10214-01	N-Nitroso Florylpicoxamid (N-Nitroso Adavelt)
AR-S09719-01	N-Nitroso Salbutamol (N-Nitroso Albuterol)

Catalog	Name
TRC-N249000-250MG	N-Nitroso Varenicline
RM-N092801-01	N-Nitroso-Varenicline
CS-O-39982	N-Nitroso Varenicline-15N
TRC-N476842-10MG	N-Nitroso Varenicline-d4
CS-O-58683	N-Nitroso Varenicline N-Oxide
CS-O-49260	N-Nitroso Varenicline 15N d2
CS-EO-02978	Varenicline Nitroso D2
CS-EO-02977	Varenicline Nitroso D4
CS-O-59610	N-Nitroso Varenicline Impurity 17-d4
CS-O-46079	Mono Nitroso Varenicline impurity