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Acamprosate-[d6] Calcium

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General Information
Catalog: BLP-011549
CAS: 1225580-94-8
Molecular Formula: C10H14D6CaN2O8S2
Molecular Weight: 406.52

Chemical Structure

Description	Acamprosate-[d3] Calcium is the labelled salt of Acamprosate. Acamprosate is a synthetic amino acid and a neurotransmitter analogue that is used as an alcohol deterrent in management of alcohol dependence and abuse.
Synonyms	Acamprosate D3 Calcium; Calcium Acetylhomotaurinate-d3; Campral-d6; Calcium 3-(acetylamino)propane-1-sulfonate-d3; Calcium N-acetylhomotaurinate-d3; calcium 3-acetamidopropane-1-sulfonate-d3; 1-Propanesulfonic acid, 3-(acetylamino-d3)-, calcium salt (2:1); Acamprosate-D6 Calcium
IUPAC Name	calcium;3-[(2,2,2-trideuterioacetyl)amino]propane-1-sulfonate
Related CAS	77337-73-6 (unlabelled) 77337-76-9 (unlabelled free acid)
Canonical SMILES	CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]
InChI	InChI=1S/2C5H11NO4S.Ca/c21-5(7)6-3-2-4-11(8,9)10;/h22-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2/i2*1D3;
InChI Key	BUVGWDNTAWHSKI-CKFJQVKPSA-L
Melting Point	>300°C
Purity	>95%
Solubility	Soluble in Water (Slightly)
Appearance	White to Off-white Solid
Storage	Store at 2-8°C under inert atmosphere