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Home Other Building Blocks Hydroxy Varenicline

Hydroxy Varenicline

CAS No.:
357424-21-6
Catalog Number:
AG00C96K
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$210
- +
5mg
≥95%
1 week
United States
$701
- +
10mg
≥95%
1 week
United States
$1185
- +
Product Description
Catalog Number:
AG00C96K
Chemical Name:
Hydroxy Varenicline
CAS Number:
357424-21-6
Molecular Formula:
C13H13N3O
Molecular Weight:
227.2618
MDL Number:
MFCD18252483
IUPAC Name:
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4(9),7,10-tetraen-6-one
InChI:
InChI=1S/C13H13N3O/c17-13-6-15-11-2-9-7-1-8(5-14-4-7)10(9)3-12(11)16-13/h2-3,6-8,14H,1,4-5H2,(H,16,17)
InChI Key:
GKJIHIDMYKLTHW-UHFFFAOYSA-N
SMILES:
O=c1cnc2c([nH]1)cc1c(c2)C2CC1CNC2
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.106g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
227.267g/mol
Monoisotopic Mass:
227.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Literature
Title Journal
3,5-Bicyclic aryl piperidines: a novel class of alpha4beta2 neuronal nicotinic receptor partial agonists for smoking cessation. Bioorganic & medicinal chemistry letters 20051115
Properties