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Acamprosate-[d6] Calcium Trihydrate

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General Information
Catalog: BLP-003191
Molecular Formula: C10H20D6CaN2O11S2
Molecular Weight: 460.56

Chemical Structure

Description	Acamprosate-[d6] Calcium Trihydrate is a labelled trihydrate analogue of Acamprosate Calcium.
Synonyms	calcium 3-acetamidopropane-1-sulfonate-d6 trihydrate
IUPAC Name	calcium;3-[(2,2,2-trideuterioacetyl)amino]propane-1-sulfonate;trihydrate
Related CAS	1225580-94-8 (anhydrous)
Canonical SMILES	CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].O.O.O.[Ca+2]
InChI	InChI=1S/2C5H11NO4S.Ca.3H2O/c21-5(7)6-3-2-4-11(8,9)10;;;;/h22-4H2,1H3,(H,6,7)(H,8,9,10);;31H2/q;;+2;;;/p-2/i21D3;;;;
InChI Key	VRDSICWVPGANQP-ACWZUKQNSA-L
Purity	> 98%