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4-Hydroxy-1-(3-pyridyl)-1-butanone-[4,4-d2]

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Application Area

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

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Organic Chemistry

Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.

Metabolic Research

Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.

Environmental

Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.

4-Hydroxy-1-(3-pyridyl)-1-butanone-[4,4-d2]

Name: 4-Hydroxy-1-(3-pyridyl)-1-butanone-[4,4-d2]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-010575
CAS: 154603-21-1
Molecular Formula: C9H9D2NO2
Molecular Weight: 167.20

Chemical Structure

Synonyms	4-Hydroxy-1-(3-pyridyl)-1-butanone-4,4-D2; HPB-4,4-d2; 4-hydroxy-1-pyridin-3-ylbutan-1-one-d2; 4-Oxo-4-(3-pyridyl)-1-butanol-d2; 4-(3-pyridyl)-4-oxobutanol-d2
IUPAC Name	4,4-dideuterio-4-hydroxy-1-pyridin-3-ylbutan-1-one
Related CAS	59578-62-0 (unlabelled)
Isomeric SMILES	[2H]C([2H])(CCC(=O)C1=CN=CC=C1)O
Canonical SMILES	C1=CC(=CN=C1)C(=O)CCCO
InChI	InChI=1S/C9H11NO2/c11-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,11H,2,4,6H2/i6D2
InChI Key	KTXUGZHJVRHQGP-NCYHJHSESA-N
Melting Point	41-43°C
Purity	≥99%; ≥97% atom D
Solubility	Soluble in Acetone, Chloroform, DMSO, Water
Appearance	Off-white to Pale Beige Solid
Application	A tobacco-specific nitrosamine adduct and metabolite of NNK, 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone.
Storage	Store at -20°C under inert atmosphere