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N-(4-Methoxybenzyl)cotinine-[d4]

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General Information
Catalog: BLP-011969
CAS: 1020719-59-8
Molecular Formula: C17H14D4N2O2
Molecular Weight: 286.36

Chemical Structure

Synonyms	N-(4-Methoxybenzyl)cotinine D4
IUPAC Name	1-[(4-methoxyphenyl)methyl]-5-(2,4,5,6-tetradeuteriopyridin-3-yl)pyrrolidin-2-one
Related CAS	887406-85-1 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(N=C1[2H])[2H])C2CCC(=O)N2CC3=CC=C(C=C3)OC)[2H]
Canonical SMILES	COC1=CC=C(C=C1)CN2C(CCC2=O)C3=CN=CC=C3
InChI	InChI=1S/C17H18N2O2/c1-21-15-6-4-13(5-7-15)12-19-16(8-9-17(19)20)14-3-2-10-18-11-14/h2-7,10-11,16H,8-9,12H2,1H3/i2D,3D,10D,11D
InChI Key	ZEFMKQDDUPKIII-LHOGTDFWSA-N
Boiling Point	501.8±50.0 °C at 760 mmHg
Purity	95% atom D
Density	1.2±0.1 g/cm3
Solubility	Soluble in Chloroform, Dichloromethane, Methanol
Appearance	Yellow Solid
Application	Labelled Cotinine derivative. Carcinogen.
Storage	Store at -20°C