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(R,S)-Norcotinine-pyridyl-[d4]

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General Information
Catalog: BLP-010167
CAS: 1020719-70-3
Molecular Formula: C9H6D4N2O
Molecular Weight: 166.21

Chemical Structure

Description	(R,S)-Norcotinine-pyridyl-[d4] is the labelled metabolite of (+/-)-Cotinine.
Synonyms	5-(3-Pyridinyl)-2-pyrrolidinone-pyridyl-d4; (RS)-Norcotinine-d4; (+/-)-Demethylcotinine-d4; (+/-)-Norcotinine-d4
IUPAC Name	5-(2,4,5,6-tetradeuteriopyridin-3-yl)pyrrolidin-2-one
Related CAS	17708-87-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(N=C1[2H])[2H])C2CCC(=O)N2)[2H]
Canonical SMILES	C1CC(=O)NC1C2=CN=CC=C2
InChI	InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)/i1D,2D,5D,6D
InChI Key	FXFANIORDKRCCA-NMRLXUNGSA-N
Melting Point	91-93°C
Purity	95%
Solubility	Soluble in Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly)
Appearance	Off-white to Light Brown Solid
Storage	Store at -20°C