(R,S)-N-Nitroso Anabasine D4

ISO 17034:
Catalog Number : CS-T-59611
CAS Number : 1020719-68-9
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What is the Chemical Information of (R,S)-N-Nitroso Anabasine D4?

Chemical Name : "(R,S)-N-Nitroso Anabasine D4"
Category : Stable Isotopes
Synonyms : 2,3,4,6-Tetradeuterio-5-(1-nitrosopiperidin-2-yl)pyridine; 5-(1-Nitroso-2-piperidinyl)pyridine-2,3,4,6-d4
Molecular Weight : 195.25 mol/g
Molecular Formula : C10H9D4N3O
Application : A labelled metabolite of tobacco, a specific N-nitrosamines. Shows mutagenic effects; a potent esophageal carcinogen. Tobacco-specific nitrosamines (TSNAs); N-nitroso-derivatives of pyridine-alkaloids (e.g., nicotine) present in tobacco and cigarette smoke

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References : Idris, A.M., et al.: Carcinogenesis, 13, 1001 (1992), Rapid Communications in Mass Spectrometry (2014), 28(15), 1658-1664
Canonical SMILES : C1CCN(C(C1)C2=CN=CC=C2)N=O
Isomeric SMILES : [2H]C1=C(C(=C(N=C1[2H])[2H])C2CCCCN2N=O)[2H]
InChI : InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/i3D,4D,6D,8D
InchIKey : BXYPVKMROLGXJI-AJEVBKBKSA-N
IUPAC Name : 2,3,4,6-tetradeuterio-5-(1-nitrosopiperidin-2-yl)pyridine
Exact Mass : 195.130969030