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(±)-Cotinine-[d4]

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General Information
Catalog: BLP-011566
CAS: 350818-68-7
Molecular Formula: C10H8D4N2O
Molecular Weight: 180.24

Chemical Structure

Description	(±)-Cotinine-[d4] is the labelled analogue of (±)-Cotinine, which is a major metabolite of nicotine in humans.
Synonyms	Cotinine D4; (±)-Cotinine-2,4,5,6-d4 (pyridine-d4); rac-Cotinine-d4; 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone-d4; (±)-Cotinine-d4
IUPAC Name	1-methyl-5-(2,4,5,6-tetradeuteriopyridin-3-yl)pyrrolidin-2-one
Related CAS	15569-85-4 (unlabelled)
Canonical SMILES	CN1C(CCC1=O)C2=CN=CC=C2
InChI	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/i2D,3D,6D,7D
InChI Key	UIKROCXWUNQSPJ-USSMZTJJSA-N
Melting Point	40-42°C
Purity	>95%
Solubility	Soluble in Chloroform (Slightly), Dichloromethane (Slightly), Ethanol (Slightly), Methanol (Slightly)
Appearance	White to Pale Yellow Solid
Storage	Store at -20°C