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2820-55-5

2820-55-5 Structure

2820-55-5 Structure
IdentificationBack Directory
[Name]

(2'S)-Nicotine 1-Oxide
[CAS]

2820-55-5
[Synonyms]

(S)-nicotine 1-N-oxide
(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine 1-Oxide
3-(1-methylpyrrolidin-2-yl)-1-oxidopyridin-1-ium
3-(1-methylpyrrolidin-2-yl)-1-oxido-pyridin-1-ium
3-[(2S)-1-Methyl-2α-pyrrolidinyl]pyridine 1-oxide
3-(1-methylpyrrolidin-2-yl)-1-oxidanidyl-pyridin-1-ium
[Molecular Formula]

C10H14N2O
[MOL File]

2820-55-5.mol
[Molecular Weight]

178.234
Chemical PropertiesBack Directory
[Appearance]

Light Yellow Crystals
[Boiling point ]

347.9±30.0 °C(Predicted)
[density ]

1.15±0.1 g/cm3(Predicted)
[storage temp. ]

Refrigerator, Under Inert Atmosphere
[solubility ]

DMF: 50 mg/mL; DMSO: 30 mg/mL; Ethanol: 50 mg/mL; PBS (pH 7.2): 1 mg/mL
[form ]

A crystalline solid
[pka]

8.79±0.40(Predicted)
[Stability:]

Very Hygroscopic
[CAS DataBase Reference]

2820-55-5
Hazard InformationBack Directory
[Chemical Properties]

Light Yellow Crystals
[Uses]

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 metabolites 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.
[Uses]

Nicotine-1’-N-oxide is a derivative of nicotine found in the leaves, stems, and roots of N. tabacum, N. affinis and N. sylvestris. Nicotine-1’-N-oxide has also been identified as metabolites of nicotine in animals and in man. The metabolism of nicotine i
[Definition]

ChEBI: A member of the class of pyridine N-oxides obtained by oxidation of the pyridine nitrogen of (S)-nicotine.
[Description]

(2''S)-Nicotine-1-oxide is a metabolite of nicotine . It is formed when nicotine is metabolized in the liver by cytochrome P450 (CYP) isoform CYP2A6. (2''S)-Nicotine-1-oxide has been detected in human sperm and semen.
[storage]

Store at -20°C
Safety DataBack Directory
[HS Code ]

2933399990
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