Cotinine Impurity 1

cas: 4192-31-8 — see every product listed under this CAS number, including other names

Cotinine Impurity 1 (CAS 4192-31-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULC5515
cas4192-31-8
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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properties

purityNo data
categoryChemicals
delivery timeTo be confirmed by Chemat
Structural formula: {0} (CAS {1})

4-oxo-4-(pyridin-3-yl)butanoic acid is a monocarboxylic acid that is succinic acid in which the hydroxy group of one of the carboxy groups is replaced by a pyridin-3-yl group. A byproduct of tobacco-specific N-nitrosamines generated by cytochrome P-450 which catalyzes methylnitrosaminopyridylbutanone hydroxylation, this nicotine metabolite is commonly found in the urine of smokers. It is a monocarboxylic acid, a member of pyridines and an aromatic ketone. It is functionally related to a 4-oxo-4-(pyridin-3-yl)butanal. It is a conjugate acid of a 4-oxo-4-(pyridin-3-yl)butanoate.

Source: ChEBI

Identity
Molecular formulaC9H9NO3
Molecular weight179.17 g/mol
IUPAC name4-oxo-4-pyridin-3-ylbutanoic acid
InChIKeyJGSUNMCABQUBOY-UHFFFAOYSA-N
SMILESC1=CC(=CN=C1)C(=O)CCC(=O)O

Computed by PubChem (NCBI)

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