(1’S,2’S)-Nicotine 1’-Oxide
Product Code
TRC-N427500
CAS Number
Product Format
Neat
Molecular Formula
C10 H14 N2 O
Molecular Weight
178.23
API Family
NicotineProduct Categories
TRC, Chiral Molecules , Nicotine and related compounds, Piperidines, Additional Cancer Bioactive Molecules, Neurology Research Chemicals and Analytical Standards, Cancer Research Chemicals and Analytical Standards
Product Type
MetaboliteAlternate CAS Number
Purity
>95% (HPLC)
Documentation
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Product Information
Chemical Data
Analyte Name
3-[(1S,2S)-1-Methyl-1-oxidopyrrolidin-2-yl]pyridine
CAS Number
51095-86-4
Molecular Formula
C10 H14 N2 O
Molecular Weight
178.23
Accurate Mass
178.1106
Flash Point
-20
SMILES
C[N@+]1([O-])CCC[C@H]1c2cccnc2
InChI
InChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-,12-/m0/s1
IUPAC
3-[(1S,2S)-1-methyl-1-oxidopyrrolidin-1-ium-2-yl]pyridine
Alternate CAS Number
(R,S)-isomer: 51020-67-8
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Tariff Code
29398000
Product Type
Metabolite
Product Format
Neat
API Family
Purity
>95% (HPLC)
Product Description
Nicotine-1???-N-oxide is a derivative of Nicotine (N412420) found in the leaves, stems, and roots of N. tabacum, N. affinis and N. sylvestris. Nicotine-1???-N-oxide has also been identified as a metabolite of nicotine in animals and in man. The metabolism of nicotine in man proceeds by alternative routes of oxidation of nitrogen to form nicotine-1???-N-oxide (both diastereomers) or cotinine. The ratio of these two products has been suggested as an indicator of bladder cancer in humans.
References: Phillipson, J.D., et al.: Phytochemistry, 14, 2683 (1975); Sindelar, R.D., et al.: Appl. Environ. Microbiol., 38, 836 (1979),