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Nicotinuric Acid-[d4]

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General Information
Catalog: BLP-012903
CAS: 1216737-36-8
Molecular Formula: C8H4D4N2O3
Molecular Weight: 184.18

Chemical Structure

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