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5-Methylcotinine-[d3]

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General Information
Catalog: BLP-003065
CAS: 1217003-12-7
Molecular Formula: C11H11D3N2O
Molecular Weight: 193.26

Chemical Structure

Description	A labelled analogue of 5-Methylcotinine.
Synonyms	1-(Methyl-d3)-5-(5-methyl-3-pyridinyl)-2-pyrrolidinone; 1-(D3)methyl-5-(5-methylpyridin-3-yl)pyrrolidin-2-one
IUPAC Name	5-(5-methylpyridin-3-yl)-1-(trideuteriomethyl)pyrrolidin-2-one
Related CAS	1076198-50-9 (unlabelled)
Isomeric SMILES	[2H]C([2H])([2H])N1C(CCC1=O)C2=CN=CC(=C2)C
Canonical SMILES	CC1=CC(=CN=C1)C2CCC(=O)N2C
InChI	InChI=1S/C11H14N2O/c1-8-5-9(7-12-6-8)10-3-4-11(14)13(10)2/h5-7,10H,3-4H2,1-2H3/i2D3
InChI Key	WHWUCUXJDGPSSV-BMSJAHLVSA-N
Purity	> 98%
Solubility	Soluble in Chloroform, Dichloromethane, Ethyl Acetate
Appearance	Off-white Solid