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(±)-Cotinine-[d3]

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General Information
Catalog: BLP-011565
CAS: 110952-70-0
Molecular Formula: C10H9D3N2O
Molecular Weight: 179.23

Chemical Structure

Description	(±)-Cotinine-[d3] is the labelled analogue of (±)-Cotinine, which is a major metabolite of nicotine in humans.
Synonyms	(±)-Cotinine-(methyl-d3); 1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone; rac-Cotinine-d3; (±)-Cotinine-d3
IUPAC Name	5-pyridin-3-yl-1-(trideuteriomethyl)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/i1D3
InChI Key	UIKROCXWUNQSPJ-FIBGUPNXSA-N
Boiling Point	250°C at 150 mmHg
Melting Point	40-42°C
Purity	99% by CP; 99% atom D
Solubility	Soluble in Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
Appearance	Off-White to Pale Yellow Low Melting Solid
Storage	Store at -20°C under inert atmosphere