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1-(3-Pyridyl)-1-butanone-4-carboxylic Acid-[d4]

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General Information
Catalog: BLP-001576
CAS: 1623019-52-2
Molecular Formula: C9H5D4NO3
Molecular Weight: 183.20

Chemical Structure

Description	Labelled analogue of 1-(3-Pyridyl)-1-butanone-4-carboxylic Acid which is a metabolite of NNK.
Synonyms	4-Oxo-4-(3-pyridyl)butyric Acid-d4; 4-(3-Pyridyl)-4-oxobutyric Acid-d4; 4-Oxo-4-(3-pyridyl)butanoic Acid-d4
IUPAC Name	4-oxo-4-(2,4,5,6-tetradeuteriopyridin-3-yl)butanoic acid
Related CAS	4192-31-8
Canonical SMILES	C1=CC(=CN=C1)C(=O)CCC(=O)O
InChI	InChI=1S/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)/i1D,2D,5D,6D
InChI Key	JGSUNMCABQUBOY-NMRLXUNGSA-N
Melting Point	162-164°C
Solubility	Soluble in DMSO (Slightly), Methanol (Slightly, Sonicated)
Appearance	White to Off-white solid
Storage	-20˚C