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(R,S)-Cotinine N-Oxide-[d3]

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General Information
Catalog: BLP-003026
CAS: 1215561-37-7
Molecular Formula: C10H9D3N2O2
Molecular Weight: 195.23

Chemical Structure

Description	(R,S)-Cotinine N-Oxide-[d3] is the labelled analogue of (R,S)-Cotinine N-Oxide. (R,S)-Cotinine N-Oxide is a metabolite of Nicotine in humans.
Synonyms	(R,S)-Cotinine-d3 N-Oxide; 5-(R,S)-1-(Methyl-d3)-5-(1-oxido-3-pyridinyl)-2-pyrrolidinone; Cotinine-d3 N-oxide; 1-(Methyl-d3)-5-(3-pyridinyl)-2-pyrrolidinone N-Oxide; (R,S)-Cotinine N-Oxide-methyl-d3
IUPAC Name	5-(1-oxidopyridin-1-ium-3-yl)-1-(trideuteriomethyl)pyrrolidin-2-one
Related CAS	227623-88-3 (unlabelled) 36508-80-2 (unlabelled s-isomer)
Canonical SMILES	CN1C(CCC1=O)C2=C[N+](=CC=C2)[O-]
InChI	InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3/i1D3
InChI Key	CIPULDKLIIVIER-FIBGUPNXSA-N
Melting Point	156-160 °C
Purity	98%
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	White to Off-white Solid
Storage	-20 °C under inert atmosphere