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Nicotinic acid-[ring-d4]

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General Information
Catalog: BLP-012900
CAS: 66148-15-0
Molecular Formula: C6HD4NO2
Molecular Weight: 127.14

Chemical Structure

Description	Nicotinic acid-[ring-d4] is the labelled analogue of Nicotinic acid, which is a metabolite of Nicotine. Nicotine is a potent parasympathomimetic stimulant.
Synonyms	3-Pyridine-d4-carboxylic acid; Niacin-(ring-d4); Nicotinic acid-(ring-d4); 3-Pyridinecarboxylic Acid-d4; 3-Carboxylpyridine-d4; Akotin-d4; Apelagrin-d4; Niacin-d4; Niacor-d4; Niaspan-d4; Nicacid-d4; Pelonin-d4; Vitamin B3-d4; Vitamin B5-d4; Wampocap-d4; β-Pyridinecarboxylic Acid-d4
IUPAC Name	2,4,5,6-tetradeuteriopyridine-3-carboxylic acid
Related CAS	59-67-6 (unlabelled)
Isomeric SMILES	[2H]C1=C(C(=C(N=C1[2H])[2H])C(=O)O)[2H]
Canonical SMILES	C1=CC(=CN=C1)C(=O)O
InChI	InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1D,2D,3D,4D
InChI Key	PVNIIMVLHYAWGP-RHQRLBAQSA-N
Melting Point	236-239°C
Purity	≥98% by CP
Solubility	Soluble in DMSO (Slightly)
Appearance	White Solid
Storage	Store at 2-8°C