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Nicotinuric Acid-[d4]

General Information
Catalog: BLP-012903
CAS: 1216737-36-8
Molecular Formula: C8H4D4N2O3
Molecular Weight: 184.18
Chemical Structure
Nicotinuric Acid-[d4]
Description Nicotinuric Acid-[d4] is the labelled analogue of Nicotinuric Acid, which is a metabolite of Nicotine. Nicotine is a potent parasympathomimetic stimulant.
Synonyms Nicotinuric Acid D4; N-[(3-Pyridinyl-d4)carbonyl]glycine; N-(Nicotinoyl)-d4-glycine; 2-(Nicotinylamino-d4)acetic Acid; NSC 71273-d4; (Nicotinoyl-d4)glycine; (Nicotinyl-d4)glycine
IUPAC Name 2-[(2,4,5,6-tetradeuteriopyridine-3-carbonyl)amino]acetic acid
Related CAS 583-08-4 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)NCC(=O)O)[2H]
Canonical SMILES C1=CC(=CN=C1)C(=O)NCC(=O)O
InChI InChI=1S/C8H8N2O3/c11-7(12)5-10-8(13)6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)/i1D,2D,3D,4D
InChI Key ZBSGKPYXQINNGF-RHQRLBAQSA-N
Melting Point >201°C (dec.)
Purity ≥98% by HPLC; ≥98% atom D
Solubility Soluble in DMSO (Slightly), Methanol (Slightly, Heated and Sonicated)
Appearance White to Off-White Solid
Storage Store at -20°C under inert atmosphere

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