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ChemicalBook--->CAS DataBase List--->34834-67-8

34834-67-8

34834-67-8 Structure

34834-67-8 Structure
IdentificationBack Directory
[Name]

3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
[CAS]

34834-67-8
[Synonyms]

cis-3'
Ccris 7628
(3S,5S)-3'
Hydroxycotinine
-Hydroxycotinine (cis-3&rsquo
trans-3’-Hydroxycotinine solution
(3'R,5'S)-trans-3'-Hydroxynicotinine
trans-3'-Hydroxy Cotinine (1.0 Mg/ML in Methanol)
3-hydroxy-1-methyl-5-pyridin-3-yl-pyrrolidin-2-one
3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone
(3R,5S)-1-Methyl-3-hydroxy-5-(3-pyridyl)pyrrolidine-2-one
(3R,5S)-3-Hydroxy-1-methyl-5-(3-pyridinyl)pyrrolidin-2-one
(3R,5S)-3-Hydroxy-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-, (3R,5S)-
(+)-TRANS-3'-HYDROXYCOTININE UNLABELED 100 UG/ML IN ACETONITRILE
[Molecular Formula]

C10H12N2O2
[MDL Number]

MFCD01320408
[MOL File]

34834-67-8.mol
[Molecular Weight]

192.21
Chemical PropertiesBack Directory
[Melting point ]

107-109°C
[Boiling point ]

416.5±45.0 °C(Predicted)
[density ]

1.275±0.06 g/cm3(Predicted)
[Fp ]

9℃
[storage temp. ]

Hygroscopic, -20°C Freezer, Under Inert Atmosphere
[solubility ]

DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml; PBS (pH 7.2): 10 mg/ml
[form ]

A crystalline solid
[pka]

13.02±0.40(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-23/24/25-39/23/24/25
[Safety Statements ]

16-36/37-45
[RIDADR ]

UN1230 - class 3 - PG 2 - Methanol, solution
[WGK Germany ]

1
Hazard InformationBack Directory
[Description]

trans-3’-Hydroxycotinine (3HC) is a product of CYP2A6 metabolism of the primary nicotine metabolite, cotinine . Cotinine has a longer metabolic half-life compared to 3HC (16 hours vs. 5 hours). The ratio of 3HC to cotinine, termed the nicotine metabolite ratio, correlates with nicotine clearance from the body and is used as a biomarker of CYP2A6 activity. This measure of nicotine metabolism has been used to study tobacco and secondhand smoke exposure as well as to develop pharmacological intervention strategies for smoking cessation.
[Chemical Properties]

Off-White to Pale-Yellow Solid
[Uses]

A metabolite of Nicotine. Carcinogen.
[Definition]

ChEBI: An N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer).
[General Description]

Trans-3′-Hydroxycotinine is a major nicotine metabolite excreted in the urine of smokers and users of other tobacco or nicotine products including cigars, chewing tobacco and snuff. This Certified Spiking Solution? is suitable for use in nicotine testing methods or clinical and diagnostic testing of nicotine biomarkers by LC-MS/MS or GC/MS.
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