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(S)-N-Nitroso Anatabine-[d4]

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General Information
Catalog: BLP-000760
CAS: 1426174-82-4
Molecular Formula: C10H7D4N3O
Molecular Weight: 193.24

Chemical Structure

Description	(S)-N-Nitroso Anatabine-[d4] is the labelled analogue of (S)-N-Nitroso Anatabine. (S)-N-Nitroso Anatabine is the S-enantiomer metabolite of tobacco, a specific N-nitrosamines with carcinogenic activity.
Synonyms	(S)-N-Nitroso Anatabine D4; (2S)-1,2,3,6-Tetrahydro-1-nitroso-2,3'-bipyridine-d4; N-Nitrosoanatabine-d4; NAT-d4; N'-Nitrosoanatabine-d4
IUPAC Name	2,3,4,6-tetradeuterio-5-[(2S)-1-nitroso-3,6-dihydro-2H-pyridin-2-yl]pyridine
Related CAS	71267-22-6 (unlabelled)
Canonical SMILES	C1C=CCN(C1C2=CN=CC=C2)N=O
InChI	InChI=1S/C10H11N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h1-4,6,8,10H,5,7H2/t10-/m0/s1/i3D,4D,6D,8D
InChI Key	ZJOFAFWTOKDIFH-IOADRVQPSA-N
Purity	95%; > 98% atom D
Solubility	Slightly soluble in Chloroform, Methanol
Appearance	Clear Colourless to Light Brown Oil
Storage	2-8 °C under inert atmosphere